USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 121 CYS SG : rot 180:sc=-0.000507 USER MOD Set 1.2: A 125 THR OG1 : rot 120:sc=-0.00468 USER MOD Set 2.1: A 42 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 88 SER OG : rot 23:sc= 0.428 USER MOD Set 3.1: A 78 MET CE :methyl 144:sc= -0.787 (180deg=-2.19!) USER MOD Set 3.2: A 82 THR OG1 : rot 84:sc= 0.472 USER MOD Single : A 10 TYR OH : rot 51:sc= -0.522 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 0:sc= 0.181 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0.236 (180deg=0.204) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 69 SER OG : rot -47:sc= 0.318 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -176:sc= 0 (180deg=-0.0109) USER MOD Single : A 77 THR OG1 : rot 82:sc= 0.0365 USER MOD Single : A 84 SER OG : rot 69:sc= 1.78 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 174:sc= 0 (180deg=-0.0173) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 4.836 5.430 -9.622 1.00 53.54 N ATOM 56 CA GLU A 6 5.723 5.404 -10.779 1.00 41.42 C ATOM 57 C GLU A 6 5.582 6.682 -11.602 1.00 72.41 C ATOM 58 O GLU A 6 6.543 7.420 -11.819 1.00 11.13 O ATOM 59 CB GLU A 6 5.422 4.185 -11.653 1.00 51.35 C ATOM 60 CG GLU A 6 5.660 4.425 -13.135 1.00 12.11 C ATOM 61 CD GLU A 6 5.693 3.138 -13.936 1.00 41.22 C ATOM 62 OE1 GLU A 6 5.433 2.067 -13.350 1.00 63.31 O ATOM 63 OE2 GLU A 6 5.979 3.203 -15.150 1.00 50.33 O ATOM 0 HA GLU A 6 6.749 5.337 -10.417 1.00 41.42 H new ATOM 0 HB2 GLU A 6 6.042 3.351 -11.324 1.00 51.35 H new ATOM 0 HB3 GLU A 6 4.384 3.889 -11.504 1.00 51.35 H new ATOM 0 HG2 GLU A 6 4.874 5.072 -13.525 1.00 12.11 H new ATOM 0 HG3 GLU A 6 6.603 4.955 -13.267 1.00 12.11 H new ATOM 70 N PRO A 7 4.355 6.949 -12.073 1.00 33.10 N ATOM 71 CA PRO A 7 4.058 8.136 -12.879 1.00 55.45 C ATOM 72 C PRO A 7 4.132 9.424 -12.065 1.00 62.44 C ATOM 73 O PRO A 7 4.359 10.504 -12.612 1.00 63.21 O ATOM 74 CB PRO A 7 2.625 7.890 -13.360 1.00 21.24 C ATOM 75 CG PRO A 7 2.034 6.981 -12.338 1.00 2.03 C ATOM 76 CD PRO A 7 3.163 6.113 -11.854 1.00 35.22 C ATOM 0 HA PRO A 7 4.777 8.269 -13.687 1.00 55.45 H new ATOM 0 HB2 PRO A 7 2.066 8.823 -13.431 1.00 21.24 H new ATOM 0 HB3 PRO A 7 2.612 7.434 -14.350 1.00 21.24 H new ATOM 0 HG2 PRO A 7 1.598 7.549 -11.516 1.00 2.03 H new ATOM 0 HG3 PRO A 7 1.234 6.378 -12.768 1.00 2.03 H new ATOM 0 HD2 PRO A 7 3.045 5.849 -10.803 1.00 35.22 H new ATOM 0 HD3 PRO A 7 3.219 5.179 -12.413 1.00 35.22 H new ATOM 84 N LEU A 8 3.940 9.302 -10.757 1.00 4.25 N ATOM 85 CA LEU A 8 3.987 10.457 -9.866 1.00 73.11 C ATOM 86 C LEU A 8 5.369 11.101 -9.882 1.00 2.35 C ATOM 87 O LEU A 8 5.513 12.294 -9.610 1.00 31.50 O ATOM 88 CB LEU A 8 3.621 10.041 -8.440 1.00 42.02 C ATOM 89 CG LEU A 8 2.475 10.815 -7.788 1.00 41.22 C ATOM 90 CD1 LEU A 8 2.747 12.311 -7.833 1.00 63.34 C ATOM 91 CD2 LEU A 8 1.155 10.491 -8.472 1.00 61.44 C ATOM 0 H LEU A 8 3.750 8.416 -10.289 1.00 4.25 H new ATOM 0 HA LEU A 8 3.262 11.189 -10.221 1.00 73.11 H new ATOM 0 HB2 LEU A 8 3.360 8.983 -8.447 1.00 42.02 H new ATOM 0 HB3 LEU A 8 4.507 10.147 -7.814 1.00 42.02 H new ATOM 0 HG LEU A 8 2.405 10.510 -6.744 1.00 41.22 H new ATOM 0 HD11 LEU A 8 1.921 12.845 -7.364 1.00 63.34 H new ATOM 0 HD12 LEU A 8 3.671 12.529 -7.297 1.00 63.34 H new ATOM 0 HD13 LEU A 8 2.845 12.632 -8.870 1.00 63.34 H new ATOM 0 HD21 LEU A 8 0.351 11.051 -7.995 1.00 61.44 H new ATOM 0 HD22 LEU A 8 1.214 10.766 -9.525 1.00 61.44 H new ATOM 0 HD23 LEU A 8 0.954 9.423 -8.387 1.00 61.44 H new ATOM 103 N PHE A 9 6.384 10.305 -10.203 1.00 13.50 N ATOM 104 CA PHE A 9 7.755 10.798 -10.255 1.00 42.44 C ATOM 105 C PHE A 9 7.940 11.771 -11.417 1.00 33.41 C ATOM 106 O PHE A 9 8.816 12.635 -11.384 1.00 70.11 O ATOM 107 CB PHE A 9 8.734 9.631 -10.392 1.00 64.34 C ATOM 108 CG PHE A 9 9.547 9.381 -9.154 1.00 40.41 C ATOM 109 CD1 PHE A 9 9.072 8.549 -8.154 1.00 31.14 C ATOM 110 CD2 PHE A 9 10.786 9.980 -8.990 1.00 71.03 C ATOM 111 CE1 PHE A 9 9.817 8.317 -7.013 1.00 3.01 C ATOM 112 CE2 PHE A 9 11.536 9.751 -7.852 1.00 51.52 C ATOM 113 CZ PHE A 9 11.051 8.920 -6.862 1.00 15.03 C ATOM 0 H PHE A 9 6.283 9.316 -10.431 1.00 13.50 H new ATOM 0 HA PHE A 9 7.960 11.328 -9.325 1.00 42.44 H new ATOM 0 HB2 PHE A 9 8.177 8.727 -10.640 1.00 64.34 H new ATOM 0 HB3 PHE A 9 9.408 9.829 -11.226 1.00 64.34 H new ATOM 0 HD1 PHE A 9 8.108 8.076 -8.267 1.00 31.14 H new ATOM 0 HD2 PHE A 9 11.170 10.633 -9.760 1.00 71.03 H new ATOM 0 HE1 PHE A 9 9.435 7.666 -6.241 1.00 3.01 H new ATOM 0 HE2 PHE A 9 12.501 10.222 -7.737 1.00 51.52 H new ATOM 0 HZ PHE A 9 11.635 8.742 -5.971 1.00 15.03 H new ATOM 123 N TYR A 10 7.108 11.622 -12.442 1.00 45.13 N ATOM 124 CA TYR A 10 7.181 12.484 -13.616 1.00 10.10 C ATOM 125 C TYR A 10 6.735 13.903 -13.278 1.00 2.52 C ATOM 126 O TYR A 10 7.504 14.857 -13.409 1.00 34.01 O ATOM 127 CB TYR A 10 6.314 11.920 -14.743 1.00 41.41 C ATOM 128 CG TYR A 10 6.882 12.163 -16.123 1.00 41.42 C ATOM 129 CD1 TYR A 10 6.655 13.363 -16.788 1.00 25.44 C ATOM 130 CD2 TYR A 10 7.644 11.194 -16.763 1.00 62.11 C ATOM 131 CE1 TYR A 10 7.172 13.589 -18.049 1.00 13.02 C ATOM 132 CE2 TYR A 10 8.166 11.412 -18.024 1.00 15.24 C ATOM 133 CZ TYR A 10 7.926 12.611 -18.662 1.00 44.14 C ATOM 134 OH TYR A 10 8.443 12.832 -19.919 1.00 31.24 O ATOM 0 H TYR A 10 6.376 10.913 -12.484 1.00 45.13 H new ATOM 0 HA TYR A 10 8.219 12.518 -13.947 1.00 10.10 H new ATOM 0 HB2 TYR A 10 6.191 10.847 -14.594 1.00 41.41 H new ATOM 0 HB3 TYR A 10 5.321 12.366 -14.684 1.00 41.41 H new ATOM 0 HD1 TYR A 10 6.065 14.131 -16.311 1.00 25.44 H new ATOM 0 HD2 TYR A 10 7.832 10.254 -16.266 1.00 62.11 H new ATOM 0 HE1 TYR A 10 6.987 14.527 -18.552 1.00 13.02 H new ATOM 0 HE2 TYR A 10 8.758 10.648 -18.507 1.00 15.24 H new ATOM 0 HH TYR A 10 8.919 13.689 -19.931 1.00 31.24 H new ATOM 144 N THR A 11 5.487 14.036 -12.841 1.00 12.44 N ATOM 145 CA THR A 11 4.936 15.338 -12.484 1.00 25.14 C ATOM 146 C THR A 11 5.836 16.061 -11.488 1.00 44.12 C ATOM 147 O THR A 11 6.043 17.271 -11.590 1.00 25.34 O ATOM 148 CB THR A 11 3.526 15.205 -11.880 1.00 75.21 C ATOM 149 OG1 THR A 11 3.066 16.481 -11.422 1.00 5.35 O ATOM 150 CG2 THR A 11 3.522 14.214 -10.726 1.00 10.35 C ATOM 0 H THR A 11 4.838 13.258 -12.726 1.00 12.44 H new ATOM 0 HA THR A 11 4.876 15.919 -13.404 1.00 25.14 H new ATOM 0 HB THR A 11 2.856 14.836 -12.657 1.00 75.21 H new ATOM 0 HG1 THR A 11 2.168 16.387 -11.041 1.00 5.35 H new ATOM 0 HG21 THR A 11 2.515 14.137 -10.316 1.00 10.35 H new ATOM 0 HG22 THR A 11 3.843 13.236 -11.085 1.00 10.35 H new ATOM 0 HG23 THR A 11 4.205 14.557 -9.949 1.00 10.35 H new ATOM 158 N ILE A 12 6.369 15.313 -10.528 1.00 2.43 N ATOM 159 CA ILE A 12 7.249 15.884 -9.515 1.00 52.12 C ATOM 160 C ILE A 12 8.455 16.563 -10.155 1.00 1.34 C ATOM 161 O ILE A 12 8.809 17.686 -9.798 1.00 25.12 O ATOM 162 CB ILE A 12 7.742 14.810 -8.528 1.00 1.02 C ATOM 163 CG1 ILE A 12 6.594 14.347 -7.629 1.00 31.22 C ATOM 164 CG2 ILE A 12 8.893 15.348 -7.691 1.00 41.42 C ATOM 165 CD1 ILE A 12 6.914 13.100 -6.834 1.00 72.14 C ATOM 0 H ILE A 12 6.207 14.311 -10.430 1.00 2.43 H new ATOM 0 HA ILE A 12 6.664 16.625 -8.970 1.00 52.12 H new ATOM 0 HB ILE A 12 8.102 13.953 -9.097 1.00 1.02 H new ATOM 0 HG12 ILE A 12 6.336 15.151 -6.940 1.00 31.22 H new ATOM 0 HG13 ILE A 12 5.714 14.160 -8.244 1.00 31.22 H new ATOM 0 HG21 ILE A 12 9.230 14.577 -6.998 1.00 41.42 H new ATOM 0 HG22 ILE A 12 9.717 15.633 -8.346 1.00 41.42 H new ATOM 0 HG23 ILE A 12 8.558 16.220 -7.129 1.00 41.42 H new ATOM 0 HD11 ILE A 12 6.055 12.830 -6.219 1.00 72.14 H new ATOM 0 HD12 ILE A 12 7.143 12.282 -7.517 1.00 72.14 H new ATOM 0 HD13 ILE A 12 7.775 13.289 -6.192 1.00 72.14 H new ATOM 177 N ASN A 13 9.081 15.874 -11.103 1.00 41.44 N ATOM 178 CA ASN A 13 10.248 16.412 -11.794 1.00 74.35 C ATOM 179 C ASN A 13 9.863 17.606 -12.662 1.00 44.14 C ATOM 180 O ASN A 13 10.725 18.363 -13.113 1.00 34.02 O ATOM 181 CB ASN A 13 10.899 15.329 -12.657 1.00 71.30 C ATOM 182 CG ASN A 13 12.219 14.850 -12.085 1.00 3.12 C ATOM 183 OD1 ASN A 13 13.287 15.166 -12.610 1.00 0.02 O ATOM 184 ND2 ASN A 13 12.152 14.083 -11.003 1.00 13.44 N ATOM 0 H ASN A 13 8.801 14.943 -11.411 1.00 41.44 H new ATOM 0 HA ASN A 13 10.963 16.747 -11.042 1.00 74.35 H new ATOM 0 HB2 ASN A 13 10.218 14.483 -12.749 1.00 71.30 H new ATOM 0 HB3 ASN A 13 11.061 15.718 -13.662 1.00 71.30 H new ATOM 0 HD21 ASN A 13 13.008 13.731 -10.574 1.00 13.44 H new ATOM 0 HD22 ASN A 13 11.245 13.846 -10.601 1.00 13.44 H new ATOM 191 N LEU A 14 8.565 17.770 -12.893 1.00 24.32 N ATOM 192 CA LEU A 14 8.066 18.873 -13.706 1.00 72.34 C ATOM 193 C LEU A 14 7.799 20.105 -12.848 1.00 43.21 C ATOM 194 O LEU A 14 7.796 21.231 -13.346 1.00 41.41 O ATOM 195 CB LEU A 14 6.786 18.457 -14.434 1.00 12.05 C ATOM 196 CG LEU A 14 6.727 18.781 -15.927 1.00 13.13 C ATOM 197 CD1 LEU A 14 5.750 17.855 -16.636 1.00 3.44 C ATOM 198 CD2 LEU A 14 6.337 20.236 -16.142 1.00 13.24 C ATOM 0 H LEU A 14 7.839 17.153 -12.529 1.00 24.32 H new ATOM 0 HA LEU A 14 8.830 19.124 -14.442 1.00 72.34 H new ATOM 0 HB2 LEU A 14 6.655 17.382 -14.311 1.00 12.05 H new ATOM 0 HB3 LEU A 14 5.940 18.940 -13.944 1.00 12.05 H new ATOM 0 HG LEU A 14 7.718 18.625 -16.353 1.00 13.13 H new ATOM 0 HD11 LEU A 14 5.721 18.100 -17.698 1.00 3.44 H new ATOM 0 HD12 LEU A 14 6.073 16.821 -16.511 1.00 3.44 H new ATOM 0 HD13 LEU A 14 4.755 17.979 -16.208 1.00 3.44 H new ATOM 0 HD21 LEU A 14 6.300 20.449 -17.210 1.00 13.24 H new ATOM 0 HD22 LEU A 14 5.357 20.419 -15.701 1.00 13.24 H new ATOM 0 HD23 LEU A 14 7.074 20.884 -15.668 1.00 13.24 H new ATOM 210 N ILE A 15 7.578 19.884 -11.557 1.00 24.13 N ATOM 211 CA ILE A 15 7.315 20.977 -10.629 1.00 75.12 C ATOM 212 C ILE A 15 8.604 21.693 -10.242 1.00 40.15 C ATOM 213 O ILE A 15 8.610 22.904 -10.016 1.00 74.52 O ATOM 214 CB ILE A 15 6.616 20.475 -9.351 1.00 64.25 C ATOM 215 CG1 ILE A 15 5.119 20.287 -9.603 1.00 13.55 C ATOM 216 CG2 ILE A 15 6.849 21.446 -8.204 1.00 42.41 C ATOM 217 CD1 ILE A 15 4.672 18.844 -9.542 1.00 71.40 C ATOM 0 H ILE A 15 7.576 18.958 -11.130 1.00 24.13 H new ATOM 0 HA ILE A 15 6.655 21.675 -11.144 1.00 75.12 H new ATOM 0 HB ILE A 15 7.042 19.510 -9.076 1.00 64.25 H new ATOM 0 HG12 ILE A 15 4.560 20.863 -8.866 1.00 13.55 H new ATOM 0 HG13 ILE A 15 4.870 20.695 -10.583 1.00 13.55 H new ATOM 0 HG21 ILE A 15 6.349 21.078 -7.308 1.00 42.41 H new ATOM 0 HG22 ILE A 15 7.919 21.533 -8.013 1.00 42.41 H new ATOM 0 HG23 ILE A 15 6.447 22.424 -8.468 1.00 42.41 H new ATOM 0 HD11 ILE A 15 3.600 18.787 -9.730 1.00 71.40 H new ATOM 0 HD12 ILE A 15 5.204 18.266 -10.297 1.00 71.40 H new ATOM 0 HD13 ILE A 15 4.889 18.437 -8.554 1.00 71.40 H new ATOM 229 N ILE A 16 9.695 20.938 -10.170 1.00 71.03 N ATOM 230 CA ILE A 16 10.991 21.501 -9.814 1.00 42.42 C ATOM 231 C ILE A 16 11.323 22.709 -10.684 1.00 3.22 C ATOM 232 O ILE A 16 11.560 23.813 -10.192 1.00 61.14 O ATOM 233 CB ILE A 16 12.116 20.458 -9.953 1.00 13.31 C ATOM 234 CG1 ILE A 16 12.287 19.684 -8.644 1.00 42.14 C ATOM 235 CG2 ILE A 16 13.420 21.135 -10.349 1.00 74.43 C ATOM 236 CD1 ILE A 16 13.089 20.430 -7.601 1.00 43.44 C ATOM 0 H ILE A 16 9.707 19.935 -10.354 1.00 71.03 H new ATOM 0 HA ILE A 16 10.924 21.814 -8.772 1.00 42.42 H new ATOM 0 HB ILE A 16 11.843 19.752 -10.738 1.00 13.31 H new ATOM 0 HG12 ILE A 16 11.303 19.453 -8.237 1.00 42.14 H new ATOM 0 HG13 ILE A 16 12.776 18.733 -8.855 1.00 42.14 H new ATOM 0 HG21 ILE A 16 14.205 20.385 -10.443 1.00 74.43 H new ATOM 0 HG22 ILE A 16 13.290 21.646 -11.303 1.00 74.43 H new ATOM 0 HG23 ILE A 16 13.700 21.860 -9.585 1.00 74.43 H new ATOM 0 HD11 ILE A 16 13.170 19.822 -6.700 1.00 43.44 H new ATOM 0 HD12 ILE A 16 14.086 20.638 -7.989 1.00 43.44 H new ATOM 0 HD13 ILE A 16 12.590 21.369 -7.361 1.00 43.44 H new ATOM 248 N PRO A 17 11.340 22.498 -12.008 1.00 60.03 N ATOM 249 CA PRO A 17 11.639 23.558 -12.975 1.00 45.23 C ATOM 250 C PRO A 17 10.528 24.599 -13.056 1.00 44.54 C ATOM 251 O PRO A 17 10.786 25.779 -13.302 1.00 25.54 O ATOM 252 CB PRO A 17 11.763 22.804 -14.302 1.00 5.15 C ATOM 253 CG PRO A 17 10.942 21.575 -14.117 1.00 0.13 C ATOM 254 CD PRO A 17 11.067 21.208 -12.664 1.00 22.11 C ATOM 0 HA PRO A 17 12.534 24.118 -12.702 1.00 45.23 H new ATOM 0 HB2 PRO A 17 11.395 23.404 -15.134 1.00 5.15 H new ATOM 0 HB3 PRO A 17 12.802 22.557 -14.522 1.00 5.15 H new ATOM 0 HG2 PRO A 17 9.901 21.757 -14.385 1.00 0.13 H new ATOM 0 HG3 PRO A 17 11.299 20.767 -14.756 1.00 0.13 H new ATOM 0 HD2 PRO A 17 10.153 20.750 -12.285 1.00 22.11 H new ATOM 0 HD3 PRO A 17 11.874 20.494 -12.498 1.00 22.11 H new ATOM 262 N CYS A 18 9.293 24.157 -12.849 1.00 2.10 N ATOM 263 CA CYS A 18 8.142 25.052 -12.899 1.00 61.42 C ATOM 264 C CYS A 18 8.353 26.260 -11.993 1.00 33.14 C ATOM 265 O CYS A 18 8.327 27.403 -12.448 1.00 51.33 O ATOM 266 CB CYS A 18 6.872 24.305 -12.488 1.00 50.51 C ATOM 267 SG CYS A 18 5.478 25.386 -12.089 1.00 72.44 S ATOM 0 H CYS A 18 9.063 23.185 -12.645 1.00 2.10 H new ATOM 0 HA CYS A 18 8.031 25.406 -13.924 1.00 61.42 H new ATOM 0 HB2 CYS A 18 6.579 23.635 -13.297 1.00 50.51 H new ATOM 0 HB3 CYS A 18 7.094 23.681 -11.622 1.00 50.51 H new ATOM 0 HG CYS A 18 4.450 24.663 -11.755 1.00 72.44 H new ATOM 273 N VAL A 19 8.560 25.999 -10.706 1.00 35.13 N ATOM 274 CA VAL A 19 8.774 27.065 -9.734 1.00 73.23 C ATOM 275 C VAL A 19 10.087 27.793 -9.998 1.00 52.12 C ATOM 276 O VAL A 19 10.207 28.992 -9.741 1.00 24.42 O ATOM 277 CB VAL A 19 8.783 26.518 -8.294 1.00 51.33 C ATOM 278 CG1 VAL A 19 7.412 25.976 -7.920 1.00 60.10 C ATOM 279 CG2 VAL A 19 9.850 25.446 -8.139 1.00 24.32 C ATOM 0 H VAL A 19 8.584 25.058 -10.312 1.00 35.13 H new ATOM 0 HA VAL A 19 7.945 27.765 -9.843 1.00 73.23 H new ATOM 0 HB VAL A 19 9.021 27.336 -7.614 1.00 51.33 H new ATOM 0 HG11 VAL A 19 7.438 25.594 -6.899 1.00 60.10 H new ATOM 0 HG12 VAL A 19 6.674 26.775 -7.990 1.00 60.10 H new ATOM 0 HG13 VAL A 19 7.141 25.170 -8.602 1.00 60.10 H new ATOM 0 HG21 VAL A 19 9.843 25.070 -7.116 1.00 24.32 H new ATOM 0 HG22 VAL A 19 9.645 24.626 -8.828 1.00 24.32 H new ATOM 0 HG23 VAL A 19 10.828 25.872 -8.362 1.00 24.32 H new ATOM 289 N LEU A 20 11.069 27.062 -10.514 1.00 10.14 N ATOM 290 CA LEU A 20 12.375 27.638 -10.814 1.00 2.33 C ATOM 291 C LEU A 20 12.263 28.707 -11.896 1.00 1.41 C ATOM 292 O LEU A 20 12.867 29.776 -11.792 1.00 34.35 O ATOM 293 CB LEU A 20 13.347 26.544 -11.260 1.00 53.42 C ATOM 294 CG LEU A 20 14.327 26.043 -10.199 1.00 34.12 C ATOM 295 CD1 LEU A 20 14.943 24.720 -10.624 1.00 63.45 C ATOM 296 CD2 LEU A 20 15.410 27.080 -9.941 1.00 20.12 C ATOM 0 H LEU A 20 10.986 26.069 -10.733 1.00 10.14 H new ATOM 0 HA LEU A 20 12.756 28.105 -9.906 1.00 2.33 H new ATOM 0 HB2 LEU A 20 12.766 25.694 -11.619 1.00 53.42 H new ATOM 0 HB3 LEU A 20 13.921 26.919 -12.107 1.00 53.42 H new ATOM 0 HG LEU A 20 13.778 25.883 -9.271 1.00 34.12 H new ATOM 0 HD11 LEU A 20 15.638 24.379 -9.857 1.00 63.45 H new ATOM 0 HD12 LEU A 20 14.156 23.978 -10.756 1.00 63.45 H new ATOM 0 HD13 LEU A 20 15.478 24.853 -11.564 1.00 63.45 H new ATOM 0 HD21 LEU A 20 16.098 26.706 -9.183 1.00 20.12 H new ATOM 0 HD22 LEU A 20 15.956 27.273 -10.864 1.00 20.12 H new ATOM 0 HD23 LEU A 20 14.952 28.005 -9.591 1.00 20.12 H new ATOM 308 N ILE A 21 11.486 28.413 -12.933 1.00 12.24 N ATOM 309 CA ILE A 21 11.292 29.351 -14.032 1.00 22.41 C ATOM 310 C ILE A 21 10.648 30.644 -13.544 1.00 72.25 C ATOM 311 O ILE A 21 11.070 31.740 -13.915 1.00 74.25 O ATOM 312 CB ILE A 21 10.418 28.742 -15.144 1.00 35.44 C ATOM 313 CG1 ILE A 21 11.102 27.513 -15.746 1.00 3.00 C ATOM 314 CG2 ILE A 21 10.133 29.778 -16.221 1.00 31.52 C ATOM 315 CD1 ILE A 21 10.140 26.406 -16.116 1.00 63.21 C ATOM 0 H ILE A 21 10.981 27.533 -13.035 1.00 12.24 H new ATOM 0 HA ILE A 21 12.280 29.571 -14.437 1.00 22.41 H new ATOM 0 HB ILE A 21 9.469 28.429 -14.709 1.00 35.44 H new ATOM 0 HG12 ILE A 21 11.655 27.815 -16.635 1.00 3.00 H new ATOM 0 HG13 ILE A 21 11.830 27.127 -15.033 1.00 3.00 H new ATOM 0 HG21 ILE A 21 9.514 29.332 -17.000 1.00 31.52 H new ATOM 0 HG22 ILE A 21 9.608 30.625 -15.781 1.00 31.52 H new ATOM 0 HG23 ILE A 21 11.073 30.119 -16.655 1.00 31.52 H new ATOM 0 HD11 ILE A 21 10.695 25.567 -16.536 1.00 63.21 H new ATOM 0 HD12 ILE A 21 9.604 26.077 -15.226 1.00 63.21 H new ATOM 0 HD13 ILE A 21 9.427 26.775 -16.853 1.00 63.21 H new ATOM 327 N THR A 22 9.623 30.509 -12.708 1.00 52.54 N ATOM 328 CA THR A 22 8.920 31.667 -12.169 1.00 31.52 C ATOM 329 C THR A 22 9.865 32.565 -11.380 1.00 42.51 C ATOM 330 O THR A 22 9.898 33.779 -11.584 1.00 73.01 O ATOM 331 CB THR A 22 7.754 31.241 -11.256 1.00 62.54 C ATOM 332 OG1 THR A 22 7.165 30.031 -11.747 1.00 53.42 O ATOM 333 CG2 THR A 22 6.698 32.332 -11.183 1.00 14.40 C ATOM 0 H THR A 22 9.261 29.610 -12.390 1.00 52.54 H new ATOM 0 HA THR A 22 8.523 32.220 -13.020 1.00 31.52 H new ATOM 0 HB THR A 22 8.148 31.072 -10.254 1.00 62.54 H new ATOM 0 HG1 THR A 22 6.426 29.766 -11.161 1.00 53.42 H new ATOM 0 HG21 THR A 22 5.885 32.009 -10.533 1.00 14.40 H new ATOM 0 HG22 THR A 22 7.143 33.243 -10.782 1.00 14.40 H new ATOM 0 HG23 THR A 22 6.308 32.528 -12.182 1.00 14.40 H new ATOM 341 N SER A 23 10.634 31.962 -10.479 1.00 11.30 N ATOM 342 CA SER A 23 11.578 32.710 -9.657 1.00 25.40 C ATOM 343 C SER A 23 12.502 33.558 -10.526 1.00 20.02 C ATOM 344 O SER A 23 12.897 34.659 -10.141 1.00 43.31 O ATOM 345 CB SER A 23 12.406 31.753 -8.796 1.00 51.11 C ATOM 346 OG SER A 23 13.794 31.953 -9.001 1.00 53.05 O ATOM 0 H SER A 23 10.622 30.958 -10.300 1.00 11.30 H new ATOM 0 HA SER A 23 11.009 33.374 -9.006 1.00 25.40 H new ATOM 0 HB2 SER A 23 12.165 31.905 -7.744 1.00 51.11 H new ATOM 0 HB3 SER A 23 12.144 30.723 -9.038 1.00 51.11 H new ATOM 0 HG SER A 23 14.301 31.331 -8.438 1.00 53.05 H new ATOM 352 N LEU A 24 12.842 33.038 -11.700 1.00 24.53 N ATOM 353 CA LEU A 24 13.720 33.746 -12.625 1.00 72.12 C ATOM 354 C LEU A 24 13.097 35.068 -13.062 1.00 72.12 C ATOM 355 O LEU A 24 13.753 36.109 -13.051 1.00 25.42 O ATOM 356 CB LEU A 24 14.010 32.877 -13.850 1.00 25.42 C ATOM 357 CG LEU A 24 15.473 32.804 -14.290 1.00 2.43 C ATOM 358 CD1 LEU A 24 15.642 31.801 -15.420 1.00 32.33 C ATOM 359 CD2 LEU A 24 15.970 34.178 -14.715 1.00 45.14 C ATOM 0 H LEU A 24 12.523 32.129 -12.034 1.00 24.53 H new ATOM 0 HA LEU A 24 14.656 33.959 -12.108 1.00 72.12 H new ATOM 0 HB2 LEU A 24 13.663 31.865 -13.643 1.00 25.42 H new ATOM 0 HB3 LEU A 24 13.419 33.252 -14.685 1.00 25.42 H new ATOM 0 HG LEU A 24 16.071 32.469 -13.443 1.00 2.43 H new ATOM 0 HD11 LEU A 24 16.689 31.763 -15.719 1.00 32.33 H new ATOM 0 HD12 LEU A 24 15.326 30.814 -15.081 1.00 32.33 H new ATOM 0 HD13 LEU A 24 15.032 32.105 -16.271 1.00 32.33 H new ATOM 0 HD21 LEU A 24 17.013 34.108 -15.025 1.00 45.14 H new ATOM 0 HD22 LEU A 24 15.368 34.541 -15.548 1.00 45.14 H new ATOM 0 HD23 LEU A 24 15.886 34.870 -13.877 1.00 45.14 H new ATOM 371 N ALA A 25 11.825 35.019 -13.445 1.00 21.11 N ATOM 372 CA ALA A 25 11.112 36.213 -13.881 1.00 42.03 C ATOM 373 C ALA A 25 10.960 37.210 -12.738 1.00 12.22 C ATOM 374 O ALA A 25 11.011 38.422 -12.948 1.00 4.40 O ATOM 375 CB ALA A 25 9.748 35.838 -14.442 1.00 44.13 C ATOM 0 H ALA A 25 11.267 34.165 -13.462 1.00 21.11 H new ATOM 0 HA ALA A 25 11.698 36.689 -14.667 1.00 42.03 H new ATOM 0 HB1 ALA A 25 9.227 36.739 -14.764 1.00 44.13 H new ATOM 0 HB2 ALA A 25 9.876 35.169 -15.293 1.00 44.13 H new ATOM 0 HB3 ALA A 25 9.163 35.336 -13.671 1.00 44.13 H new ATOM 381 N ILE A 26 10.771 36.692 -11.529 1.00 5.43 N ATOM 382 CA ILE A 26 10.612 37.538 -10.352 1.00 41.33 C ATOM 383 C ILE A 26 11.927 38.213 -9.978 1.00 44.23 C ATOM 384 O ILE A 26 11.965 39.412 -9.698 1.00 1.02 O ATOM 385 CB ILE A 26 10.100 36.732 -9.144 1.00 61.13 C ATOM 386 CG1 ILE A 26 8.730 36.124 -9.453 1.00 24.13 C ATOM 387 CG2 ILE A 26 10.027 37.617 -7.909 1.00 53.22 C ATOM 388 CD1 ILE A 26 8.456 34.840 -8.701 1.00 12.42 C ATOM 0 H ILE A 26 10.724 35.691 -11.339 1.00 5.43 H new ATOM 0 HA ILE A 26 9.876 38.300 -10.609 1.00 41.33 H new ATOM 0 HB ILE A 26 10.800 35.921 -8.944 1.00 61.13 H new ATOM 0 HG12 ILE A 26 7.955 36.851 -9.209 1.00 24.13 H new ATOM 0 HG13 ILE A 26 8.660 35.931 -10.523 1.00 24.13 H new ATOM 0 HG21 ILE A 26 9.663 37.033 -7.064 1.00 53.22 H new ATOM 0 HG22 ILE A 26 11.019 38.006 -7.681 1.00 53.22 H new ATOM 0 HG23 ILE A 26 9.346 38.447 -8.096 1.00 53.22 H new ATOM 0 HD11 ILE A 26 7.468 34.465 -8.969 1.00 12.42 H new ATOM 0 HD12 ILE A 26 9.209 34.097 -8.963 1.00 12.42 H new ATOM 0 HD13 ILE A 26 8.493 35.031 -7.629 1.00 12.42 H new ATOM 400 N LEU A 27 13.005 37.437 -9.978 1.00 21.43 N ATOM 401 CA LEU A 27 14.325 37.959 -9.640 1.00 54.20 C ATOM 402 C LEU A 27 14.747 39.047 -10.622 1.00 11.31 C ATOM 403 O LEU A 27 15.521 39.941 -10.279 1.00 63.13 O ATOM 404 CB LEU A 27 15.357 36.830 -9.637 1.00 53.15 C ATOM 405 CG LEU A 27 15.281 35.854 -8.463 1.00 33.00 C ATOM 406 CD1 LEU A 27 15.991 34.553 -8.803 1.00 41.13 C ATOM 407 CD2 LEU A 27 15.879 36.479 -7.211 1.00 33.42 C ATOM 0 H LEU A 27 12.991 36.443 -10.208 1.00 21.43 H new ATOM 0 HA LEU A 27 14.272 38.396 -8.643 1.00 54.20 H new ATOM 0 HB2 LEU A 27 15.249 36.264 -10.562 1.00 53.15 H new ATOM 0 HB3 LEU A 27 16.352 37.275 -9.650 1.00 53.15 H new ATOM 0 HG LEU A 27 14.232 35.631 -8.268 1.00 33.00 H new ATOM 0 HD11 LEU A 27 15.926 33.871 -7.955 1.00 41.13 H new ATOM 0 HD12 LEU A 27 15.518 34.097 -9.673 1.00 41.13 H new ATOM 0 HD13 LEU A 27 17.038 34.757 -9.025 1.00 41.13 H new ATOM 0 HD21 LEU A 27 15.817 35.770 -6.385 1.00 33.42 H new ATOM 0 HD22 LEU A 27 16.923 36.732 -7.394 1.00 33.42 H new ATOM 0 HD23 LEU A 27 15.326 37.383 -6.956 1.00 33.42 H new ATOM 419 N VAL A 28 14.231 38.967 -11.844 1.00 70.14 N ATOM 420 CA VAL A 28 14.552 39.947 -12.876 1.00 33.55 C ATOM 421 C VAL A 28 13.850 41.274 -12.610 1.00 24.22 C ATOM 422 O VAL A 28 14.464 42.339 -12.686 1.00 74.44 O ATOM 423 CB VAL A 28 14.154 39.439 -14.275 1.00 2.55 C ATOM 424 CG1 VAL A 28 14.317 40.543 -15.309 1.00 21.22 C ATOM 425 CG2 VAL A 28 14.978 38.218 -14.652 1.00 22.31 C ATOM 0 H VAL A 28 13.589 38.234 -12.144 1.00 70.14 H new ATOM 0 HA VAL A 28 15.631 40.098 -12.846 1.00 33.55 H new ATOM 0 HB VAL A 28 13.104 39.147 -14.252 1.00 2.55 H new ATOM 0 HG11 VAL A 28 14.031 40.167 -16.291 1.00 21.22 H new ATOM 0 HG12 VAL A 28 13.679 41.386 -15.044 1.00 21.22 H new ATOM 0 HG13 VAL A 28 15.357 40.868 -15.333 1.00 21.22 H new ATOM 0 HG21 VAL A 28 14.684 37.872 -15.643 1.00 22.31 H new ATOM 0 HG22 VAL A 28 16.036 38.481 -14.659 1.00 22.31 H new ATOM 0 HG23 VAL A 28 14.806 37.424 -13.925 1.00 22.31 H new ATOM 435 N PHE A 29 12.561 41.203 -12.296 1.00 71.05 N ATOM 436 CA PHE A 29 11.775 42.399 -12.019 1.00 54.44 C ATOM 437 C PHE A 29 12.364 43.178 -10.846 1.00 75.44 C ATOM 438 O PHE A 29 12.299 44.407 -10.808 1.00 21.44 O ATOM 439 CB PHE A 29 10.322 42.023 -11.718 1.00 64.25 C ATOM 440 CG PHE A 29 9.498 41.783 -12.951 1.00 14.44 C ATOM 441 CD1 PHE A 29 9.352 42.776 -13.906 1.00 74.03 C ATOM 442 CD2 PHE A 29 8.868 40.566 -13.153 1.00 33.10 C ATOM 443 CE1 PHE A 29 8.594 42.559 -15.042 1.00 35.15 C ATOM 444 CE2 PHE A 29 8.109 40.343 -14.286 1.00 72.03 C ATOM 445 CZ PHE A 29 7.971 41.341 -15.231 1.00 55.01 C ATOM 0 H PHE A 29 12.039 40.330 -12.227 1.00 71.05 H new ATOM 0 HA PHE A 29 11.803 43.034 -12.905 1.00 54.44 H new ATOM 0 HB2 PHE A 29 10.308 41.125 -11.100 1.00 64.25 H new ATOM 0 HB3 PHE A 29 9.863 42.820 -11.133 1.00 64.25 H new ATOM 0 HD1 PHE A 29 9.836 43.731 -13.762 1.00 74.03 H new ATOM 0 HD2 PHE A 29 8.971 39.783 -12.417 1.00 33.10 H new ATOM 0 HE1 PHE A 29 8.489 43.341 -15.780 1.00 35.15 H new ATOM 0 HE2 PHE A 29 7.624 39.389 -14.433 1.00 72.03 H new ATOM 0 HZ PHE A 29 7.377 41.169 -16.116 1.00 55.01 H new ATOM 455 N TYR A 30 12.937 42.453 -9.892 1.00 14.11 N ATOM 456 CA TYR A 30 13.534 43.074 -8.716 1.00 24.01 C ATOM 457 C TYR A 30 14.931 43.602 -9.029 1.00 62.11 C ATOM 458 O TYR A 30 15.413 44.536 -8.387 1.00 42.34 O ATOM 459 CB TYR A 30 13.603 42.071 -7.563 1.00 12.11 C ATOM 460 CG TYR A 30 12.397 42.112 -6.652 1.00 55.23 C ATOM 461 CD1 TYR A 30 11.108 42.117 -7.173 1.00 43.43 C ATOM 462 CD2 TYR A 30 12.545 42.147 -5.271 1.00 74.13 C ATOM 463 CE1 TYR A 30 10.003 42.156 -6.345 1.00 61.33 C ATOM 464 CE2 TYR A 30 11.445 42.184 -4.436 1.00 22.23 C ATOM 465 CZ TYR A 30 10.177 42.188 -4.977 1.00 53.23 C ATOM 466 OH TYR A 30 9.079 42.226 -4.148 1.00 40.33 O ATOM 0 H TYR A 30 13.001 41.435 -9.910 1.00 14.11 H new ATOM 0 HA TYR A 30 12.905 43.914 -8.421 1.00 24.01 H new ATOM 0 HB2 TYR A 30 13.705 41.066 -7.972 1.00 12.11 H new ATOM 0 HB3 TYR A 30 14.499 42.268 -6.975 1.00 12.11 H new ATOM 0 HD1 TYR A 30 10.968 42.090 -8.244 1.00 43.43 H new ATOM 0 HD2 TYR A 30 13.537 42.145 -4.843 1.00 74.13 H new ATOM 0 HE1 TYR A 30 9.009 42.161 -6.766 1.00 61.33 H new ATOM 0 HE2 TYR A 30 11.578 42.210 -3.365 1.00 22.23 H new ATOM 0 HH TYR A 30 9.375 42.244 -3.214 1.00 40.33 H new ATOM 476 N LEU A 31 15.576 42.997 -10.020 1.00 42.25 N ATOM 477 CA LEU A 31 16.918 43.405 -10.422 1.00 1.35 C ATOM 478 C LEU A 31 16.939 43.848 -11.881 1.00 64.41 C ATOM 479 O LEU A 31 17.470 43.162 -12.756 1.00 34.15 O ATOM 480 CB LEU A 31 17.906 42.257 -10.210 1.00 63.13 C ATOM 481 CG LEU A 31 18.486 42.121 -8.802 1.00 21.21 C ATOM 482 CD1 LEU A 31 17.897 40.909 -8.097 1.00 31.10 C ATOM 483 CD2 LEU A 31 20.004 42.022 -8.857 1.00 54.41 C ATOM 0 H LEU A 31 15.192 42.222 -10.560 1.00 42.25 H new ATOM 0 HA LEU A 31 17.215 44.251 -9.802 1.00 1.35 H new ATOM 0 HB2 LEU A 31 17.407 41.323 -10.467 1.00 63.13 H new ATOM 0 HB3 LEU A 31 18.732 42.381 -10.911 1.00 63.13 H new ATOM 0 HG LEU A 31 18.220 43.012 -8.233 1.00 21.21 H new ATOM 0 HD11 LEU A 31 18.321 40.828 -7.096 1.00 31.10 H new ATOM 0 HD12 LEU A 31 16.815 41.020 -8.024 1.00 31.10 H new ATOM 0 HD13 LEU A 31 18.132 40.008 -8.664 1.00 31.10 H new ATOM 0 HD21 LEU A 31 20.399 41.926 -7.846 1.00 54.41 H new ATOM 0 HD22 LEU A 31 20.291 41.149 -9.443 1.00 54.41 H new ATOM 0 HD23 LEU A 31 20.411 42.920 -9.321 1.00 54.41 H new ATOM 495 N PRO A 32 16.351 45.022 -12.152 1.00 42.24 N ATOM 496 CA PRO A 32 16.292 45.584 -13.505 1.00 51.01 C ATOM 497 C PRO A 32 17.659 46.042 -14.003 1.00 75.11 C ATOM 498 O PRO A 32 18.285 46.918 -13.408 1.00 10.43 O ATOM 499 CB PRO A 32 15.350 46.781 -13.351 1.00 44.10 C ATOM 500 CG PRO A 32 15.463 47.170 -11.917 1.00 62.42 C ATOM 501 CD PRO A 32 15.699 45.892 -11.159 1.00 43.54 C ATOM 0 HA PRO A 32 15.955 44.850 -14.237 1.00 51.01 H new ATOM 0 HB2 PRO A 32 15.641 47.601 -14.008 1.00 44.10 H new ATOM 0 HB3 PRO A 32 14.325 46.514 -13.609 1.00 44.10 H new ATOM 0 HG2 PRO A 32 16.284 47.871 -11.766 1.00 62.42 H new ATOM 0 HG3 PRO A 32 14.555 47.665 -11.574 1.00 62.42 H new ATOM 0 HD2 PRO A 32 16.334 46.053 -10.288 1.00 43.54 H new ATOM 0 HD3 PRO A 32 14.765 45.461 -10.798 1.00 43.54 H new ATOM 509 N SER A 33 18.115 45.443 -15.099 1.00 1.44 N ATOM 510 CA SER A 33 19.410 45.788 -15.675 1.00 33.34 C ATOM 511 C SER A 33 19.427 45.512 -17.175 1.00 64.40 C ATOM 512 O SER A 33 18.851 44.530 -17.644 1.00 14.14 O ATOM 513 CB SER A 33 20.524 44.998 -14.986 1.00 64.31 C ATOM 514 OG SER A 33 20.624 45.345 -13.616 1.00 32.23 O ATOM 0 H SER A 33 17.608 44.717 -15.605 1.00 1.44 H new ATOM 0 HA SER A 33 19.579 46.853 -15.517 1.00 33.34 H new ATOM 0 HB2 SER A 33 20.328 43.930 -15.080 1.00 64.31 H new ATOM 0 HB3 SER A 33 21.474 45.193 -15.484 1.00 64.31 H new ATOM 0 HG SER A 33 19.951 46.024 -13.401 1.00 32.23 H new ATOM 520 N ASP A 34 20.093 46.385 -17.923 1.00 24.43 N ATOM 521 CA ASP A 34 20.188 46.236 -19.370 1.00 61.23 C ATOM 522 C ASP A 34 18.810 46.331 -20.018 1.00 21.53 C ATOM 523 O ASP A 34 17.787 46.285 -19.333 1.00 63.21 O ATOM 524 CB ASP A 34 20.841 44.899 -19.725 1.00 44.24 C ATOM 525 CG ASP A 34 21.594 44.954 -21.040 1.00 71.24 C ATOM 526 OD1 ASP A 34 21.672 46.050 -21.635 1.00 34.41 O ATOM 527 OD2 ASP A 34 22.106 43.901 -21.475 1.00 12.14 O ATOM 0 H ASP A 34 20.575 47.203 -17.551 1.00 24.43 H new ATOM 0 HA ASP A 34 20.807 47.047 -19.754 1.00 61.23 H new ATOM 0 HB2 ASP A 34 21.527 44.610 -18.929 1.00 44.24 H new ATOM 0 HB3 ASP A 34 20.074 44.127 -19.781 1.00 44.24 H new ATOM 532 N CYS A 35 18.791 46.464 -21.339 1.00 71.52 N ATOM 533 CA CYS A 35 17.538 46.567 -22.079 1.00 62.22 C ATOM 534 C CYS A 35 17.180 45.235 -22.730 1.00 70.04 C ATOM 535 O CYS A 35 16.020 44.982 -23.052 1.00 32.52 O ATOM 536 CB CYS A 35 17.640 47.659 -23.145 1.00 61.44 C ATOM 537 SG CYS A 35 16.289 48.860 -23.103 1.00 64.12 S ATOM 0 H CYS A 35 19.628 46.503 -21.920 1.00 71.52 H new ATOM 0 HA CYS A 35 16.749 46.830 -21.375 1.00 62.22 H new ATOM 0 HB2 CYS A 35 18.585 48.187 -23.020 1.00 61.44 H new ATOM 0 HB3 CYS A 35 17.665 47.190 -24.129 1.00 61.44 H new ATOM 0 HG CYS A 35 16.465 49.744 -24.040 1.00 64.12 H new ATOM 543 N GLY A 36 18.186 44.387 -22.924 1.00 32.03 N ATOM 544 CA GLY A 36 17.957 43.092 -23.537 1.00 53.05 C ATOM 545 C GLY A 36 17.761 41.992 -22.514 1.00 30.45 C ATOM 546 O GLY A 36 17.759 40.810 -22.857 1.00 33.15 O ATOM 0 H GLY A 36 19.155 44.574 -22.667 1.00 32.03 H new ATOM 0 HA2 GLY A 36 17.078 43.148 -24.179 1.00 53.05 H new ATOM 0 HA3 GLY A 36 18.803 42.842 -24.177 1.00 53.05 H new ATOM 550 N GLU A 37 17.598 42.381 -21.253 1.00 30.52 N ATOM 551 CA GLU A 37 17.403 41.417 -20.176 1.00 24.21 C ATOM 552 C GLU A 37 15.940 40.994 -20.082 1.00 0.32 C ATOM 553 O GLU A 37 15.631 39.810 -19.945 1.00 40.33 O ATOM 554 CB GLU A 37 17.861 42.010 -18.842 1.00 21.02 C ATOM 555 CG GLU A 37 17.851 41.012 -17.696 1.00 73.23 C ATOM 556 CD GLU A 37 18.652 41.488 -16.500 1.00 61.23 C ATOM 557 OE1 GLU A 37 19.897 41.522 -16.597 1.00 11.42 O ATOM 558 OE2 GLU A 37 18.035 41.825 -15.468 1.00 44.44 O ATOM 0 H GLU A 37 17.597 43.356 -20.952 1.00 30.52 H new ATOM 0 HA GLU A 37 18.004 40.535 -20.399 1.00 24.21 H new ATOM 0 HB2 GLU A 37 18.869 42.407 -18.958 1.00 21.02 H new ATOM 0 HB3 GLU A 37 17.215 42.850 -18.587 1.00 21.02 H new ATOM 0 HG2 GLU A 37 16.822 40.828 -17.389 1.00 73.23 H new ATOM 0 HG3 GLU A 37 18.255 40.061 -18.044 1.00 73.23 H new ATOM 565 N LYS A 38 15.042 41.971 -20.155 1.00 45.22 N ATOM 566 CA LYS A 38 13.611 41.703 -20.079 1.00 42.33 C ATOM 567 C LYS A 38 13.098 41.115 -21.390 1.00 15.43 C ATOM 568 O LYS A 38 12.168 40.309 -21.397 1.00 23.44 O ATOM 569 CB LYS A 38 12.848 42.988 -19.750 1.00 53.13 C ATOM 570 CG LYS A 38 13.419 43.749 -18.566 1.00 35.40 C ATOM 571 CD LYS A 38 13.306 42.946 -17.281 1.00 33.31 C ATOM 572 CE LYS A 38 11.871 42.895 -16.779 1.00 54.14 C ATOM 573 NZ LYS A 38 11.272 41.542 -16.948 1.00 55.22 N ATOM 0 H LYS A 38 15.281 42.956 -20.267 1.00 45.22 H new ATOM 0 HA LYS A 38 13.444 40.975 -19.285 1.00 42.33 H new ATOM 0 HB2 LYS A 38 12.853 43.638 -20.625 1.00 53.13 H new ATOM 0 HB3 LYS A 38 11.807 42.740 -19.543 1.00 53.13 H new ATOM 0 HG2 LYS A 38 14.465 43.988 -18.756 1.00 35.40 H new ATOM 0 HG3 LYS A 38 12.891 44.696 -18.452 1.00 35.40 H new ATOM 0 HD2 LYS A 38 13.669 41.932 -17.451 1.00 33.31 H new ATOM 0 HD3 LYS A 38 13.944 43.389 -16.517 1.00 33.31 H new ATOM 0 HE2 LYS A 38 11.845 43.175 -15.726 1.00 54.14 H new ATOM 0 HE3 LYS A 38 11.271 43.628 -17.319 1.00 54.14 H new ATOM 0 HZ1 LYS A 38 10.339 41.515 -16.488 1.00 55.22 H new ATOM 0 HZ2 LYS A 38 11.165 41.334 -17.961 1.00 55.22 H new ATOM 0 HZ3 LYS A 38 11.893 40.831 -16.512 1.00 55.22 H new ATOM 587 N MET A 39 13.709 41.524 -22.496 1.00 43.24 N ATOM 588 CA MET A 39 13.315 41.035 -23.812 1.00 53.14 C ATOM 589 C MET A 39 13.703 39.570 -23.987 1.00 14.32 C ATOM 590 O MET A 39 12.850 38.715 -24.228 1.00 54.43 O ATOM 591 CB MET A 39 13.963 41.881 -24.910 1.00 24.20 C ATOM 592 CG MET A 39 12.968 42.705 -25.710 1.00 60.14 C ATOM 593 SD MET A 39 13.101 42.422 -27.486 1.00 70.12 S ATOM 594 CE MET A 39 12.254 43.866 -28.123 1.00 61.24 C ATOM 0 H MET A 39 14.479 42.193 -22.508 1.00 43.24 H new ATOM 0 HA MET A 39 12.231 41.117 -23.892 1.00 53.14 H new ATOM 0 HB2 MET A 39 14.695 42.550 -24.457 1.00 24.20 H new ATOM 0 HB3 MET A 39 14.508 41.225 -25.589 1.00 24.20 H new ATOM 0 HG2 MET A 39 11.957 42.465 -25.382 1.00 60.14 H new ATOM 0 HG3 MET A 39 13.128 43.763 -25.502 1.00 60.14 H new ATOM 0 HE1 MET A 39 12.253 43.836 -29.213 1.00 61.24 H new ATOM 0 HE2 MET A 39 11.227 43.875 -27.759 1.00 61.24 H new ATOM 0 HE3 MET A 39 12.767 44.767 -27.786 1.00 61.24 H new ATOM 604 N THR A 40 14.996 39.286 -23.863 1.00 54.24 N ATOM 605 CA THR A 40 15.496 37.925 -24.009 1.00 4.31 C ATOM 606 C THR A 40 14.866 36.995 -22.979 1.00 63.51 C ATOM 607 O THR A 40 14.778 35.785 -23.192 1.00 64.53 O ATOM 608 CB THR A 40 17.029 37.872 -23.863 1.00 32.03 C ATOM 609 OG1 THR A 40 17.558 36.790 -24.638 1.00 54.52 O ATOM 610 CG2 THR A 40 17.428 37.700 -22.405 1.00 33.21 C ATOM 0 H THR A 40 15.715 39.981 -23.662 1.00 54.24 H new ATOM 0 HA THR A 40 15.222 37.592 -25.010 1.00 4.31 H new ATOM 0 HB THR A 40 17.439 38.814 -24.227 1.00 32.03 H new ATOM 0 HG1 THR A 40 18.533 36.764 -24.541 1.00 54.52 H new ATOM 0 HG21 THR A 40 18.515 37.665 -22.327 1.00 33.21 H new ATOM 0 HG22 THR A 40 17.049 38.540 -21.823 1.00 33.21 H new ATOM 0 HG23 THR A 40 17.007 36.772 -22.020 1.00 33.21 H new ATOM 618 N LEU A 41 14.428 37.565 -21.862 1.00 44.44 N ATOM 619 CA LEU A 41 13.805 36.786 -20.798 1.00 52.15 C ATOM 620 C LEU A 41 12.497 36.162 -21.275 1.00 40.43 C ATOM 621 O LEU A 41 12.316 34.946 -21.204 1.00 53.23 O ATOM 622 CB LEU A 41 13.546 37.670 -19.577 1.00 21.42 C ATOM 623 CG LEU A 41 12.504 37.153 -18.584 1.00 3.43 C ATOM 624 CD1 LEU A 41 12.891 35.774 -18.074 1.00 34.32 C ATOM 625 CD2 LEU A 41 12.344 38.127 -17.425 1.00 30.41 C ATOM 0 H LEU A 41 14.493 38.565 -21.670 1.00 44.44 H new ATOM 0 HA LEU A 41 14.489 35.984 -20.520 1.00 52.15 H new ATOM 0 HB2 LEU A 41 14.488 37.807 -19.046 1.00 21.42 H new ATOM 0 HB3 LEU A 41 13.230 38.653 -19.926 1.00 21.42 H new ATOM 0 HG LEU A 41 11.547 37.071 -19.099 1.00 3.43 H new ATOM 0 HD11 LEU A 41 12.138 35.422 -17.369 1.00 34.32 H new ATOM 0 HD12 LEU A 41 12.955 35.081 -18.913 1.00 34.32 H new ATOM 0 HD13 LEU A 41 13.858 35.829 -17.575 1.00 34.32 H new ATOM 0 HD21 LEU A 41 11.599 37.744 -16.728 1.00 30.41 H new ATOM 0 HD22 LEU A 41 13.298 38.240 -16.910 1.00 30.41 H new ATOM 0 HD23 LEU A 41 12.020 39.096 -17.806 1.00 30.41 H new ATOM 637 N CYS A 42 11.590 37.002 -21.762 1.00 64.05 N ATOM 638 CA CYS A 42 10.299 36.533 -22.253 1.00 23.20 C ATOM 639 C CYS A 42 10.480 35.428 -23.288 1.00 70.43 C ATOM 640 O CYS A 42 9.752 34.434 -23.284 1.00 2.34 O ATOM 641 CB CYS A 42 9.509 37.693 -22.860 1.00 72.21 C ATOM 642 SG CYS A 42 8.050 37.181 -23.798 1.00 43.12 S ATOM 0 H CYS A 42 11.725 38.011 -21.827 1.00 64.05 H new ATOM 0 HA CYS A 42 9.742 36.127 -21.408 1.00 23.20 H new ATOM 0 HB2 CYS A 42 9.196 38.364 -22.060 1.00 72.21 H new ATOM 0 HB3 CYS A 42 10.167 38.263 -23.515 1.00 72.21 H new ATOM 0 HG CYS A 42 7.447 38.231 -24.270 1.00 43.12 H new ATOM 648 N ILE A 43 11.453 35.608 -24.175 1.00 51.21 N ATOM 649 CA ILE A 43 11.728 34.627 -25.217 1.00 22.52 C ATOM 650 C ILE A 43 12.338 33.358 -24.630 1.00 5.44 C ATOM 651 O ILE A 43 11.973 32.247 -25.012 1.00 33.25 O ATOM 652 CB ILE A 43 12.680 35.193 -26.287 1.00 1.02 C ATOM 653 CG1 ILE A 43 12.008 36.341 -27.043 1.00 35.51 C ATOM 654 CG2 ILE A 43 13.108 34.096 -27.250 1.00 33.42 C ATOM 655 CD1 ILE A 43 12.835 37.606 -27.082 1.00 24.04 C ATOM 0 H ILE A 43 12.064 36.424 -24.193 1.00 51.21 H new ATOM 0 HA ILE A 43 10.773 34.386 -25.684 1.00 22.52 H new ATOM 0 HB ILE A 43 13.570 35.581 -25.791 1.00 1.02 H new ATOM 0 HG12 ILE A 43 11.801 36.021 -28.064 1.00 35.51 H new ATOM 0 HG13 ILE A 43 11.047 36.559 -26.576 1.00 35.51 H new ATOM 0 HG21 ILE A 43 13.781 34.512 -28.000 1.00 33.42 H new ATOM 0 HG22 ILE A 43 13.622 33.308 -26.699 1.00 33.42 H new ATOM 0 HG23 ILE A 43 12.229 33.680 -27.742 1.00 33.42 H new ATOM 0 HD11 ILE A 43 12.296 38.376 -27.634 1.00 24.04 H new ATOM 0 HD12 ILE A 43 13.020 37.951 -26.065 1.00 24.04 H new ATOM 0 HD13 ILE A 43 13.786 37.404 -27.576 1.00 24.04 H new ATOM 667 N SER A 44 13.270 33.533 -23.697 1.00 53.13 N ATOM 668 CA SER A 44 13.933 32.403 -23.058 1.00 33.31 C ATOM 669 C SER A 44 12.920 31.507 -22.351 1.00 55.32 C ATOM 670 O SER A 44 12.789 30.326 -22.670 1.00 71.54 O ATOM 671 CB SER A 44 14.979 32.897 -22.057 1.00 53.30 C ATOM 672 OG SER A 44 16.284 32.821 -22.604 1.00 31.44 O ATOM 0 H SER A 44 13.582 34.446 -23.368 1.00 53.13 H new ATOM 0 HA SER A 44 14.429 31.820 -23.833 1.00 33.31 H new ATOM 0 HB2 SER A 44 14.759 33.927 -21.775 1.00 53.30 H new ATOM 0 HB3 SER A 44 14.927 32.299 -21.147 1.00 53.30 H new ATOM 0 HG SER A 44 16.934 33.144 -21.946 1.00 31.44 H new ATOM 678 N VAL A 45 12.204 32.080 -21.388 1.00 73.44 N ATOM 679 CA VAL A 45 11.201 31.335 -20.636 1.00 52.30 C ATOM 680 C VAL A 45 10.224 30.630 -21.571 1.00 25.15 C ATOM 681 O VAL A 45 9.781 29.514 -21.295 1.00 54.25 O ATOM 682 CB VAL A 45 10.412 32.258 -19.688 1.00 34.51 C ATOM 683 CG1 VAL A 45 9.133 31.577 -19.222 1.00 43.14 C ATOM 684 CG2 VAL A 45 11.272 32.663 -18.501 1.00 23.21 C ATOM 0 H VAL A 45 12.300 33.057 -21.111 1.00 73.44 H new ATOM 0 HA VAL A 45 11.735 30.590 -20.046 1.00 52.30 H new ATOM 0 HB VAL A 45 10.137 33.161 -20.233 1.00 34.51 H new ATOM 0 HG11 VAL A 45 8.589 32.244 -18.553 1.00 43.14 H new ATOM 0 HG12 VAL A 45 8.511 31.342 -20.085 1.00 43.14 H new ATOM 0 HG13 VAL A 45 9.382 30.657 -18.693 1.00 43.14 H new ATOM 0 HG21 VAL A 45 10.699 33.315 -17.842 1.00 23.21 H new ATOM 0 HG22 VAL A 45 11.579 31.772 -17.953 1.00 23.21 H new ATOM 0 HG23 VAL A 45 12.156 33.193 -18.856 1.00 23.21 H new ATOM 694 N LEU A 46 9.894 31.287 -22.677 1.00 33.23 N ATOM 695 CA LEU A 46 8.969 30.723 -23.654 1.00 62.51 C ATOM 696 C LEU A 46 9.497 29.401 -24.203 1.00 32.21 C ATOM 697 O LEU A 46 8.756 28.423 -24.316 1.00 1.13 O ATOM 698 CB LEU A 46 8.743 31.710 -24.800 1.00 71.24 C ATOM 699 CG LEU A 46 7.474 32.559 -24.714 1.00 44.30 C ATOM 700 CD1 LEU A 46 7.479 33.636 -25.787 1.00 42.55 C ATOM 701 CD2 LEU A 46 6.236 31.683 -24.840 1.00 44.43 C ATOM 0 H LEU A 46 10.253 32.210 -22.920 1.00 33.23 H new ATOM 0 HA LEU A 46 8.020 30.534 -23.153 1.00 62.51 H new ATOM 0 HB2 LEU A 46 9.601 32.380 -24.851 1.00 71.24 H new ATOM 0 HB3 LEU A 46 8.719 31.151 -25.735 1.00 71.24 H new ATOM 0 HG LEU A 46 7.451 33.046 -23.739 1.00 44.30 H new ATOM 0 HD11 LEU A 46 6.568 34.230 -25.710 1.00 42.55 H new ATOM 0 HD12 LEU A 46 8.346 34.282 -25.650 1.00 42.55 H new ATOM 0 HD13 LEU A 46 7.526 33.169 -26.771 1.00 42.55 H new ATOM 0 HD21 LEU A 46 5.343 32.304 -24.777 1.00 44.43 H new ATOM 0 HD22 LEU A 46 6.252 31.167 -25.800 1.00 44.43 H new ATOM 0 HD23 LEU A 46 6.226 30.949 -24.034 1.00 44.43 H new ATOM 713 N LEU A 47 10.781 29.377 -24.541 1.00 3.22 N ATOM 714 CA LEU A 47 11.410 28.174 -25.076 1.00 13.31 C ATOM 715 C LEU A 47 11.316 27.022 -24.081 1.00 15.11 C ATOM 716 O LEU A 47 10.854 25.933 -24.419 1.00 74.14 O ATOM 717 CB LEU A 47 12.875 28.450 -25.418 1.00 21.43 C ATOM 718 CG LEU A 47 13.463 27.628 -26.565 1.00 75.54 C ATOM 719 CD1 LEU A 47 14.680 28.324 -27.152 1.00 44.12 C ATOM 720 CD2 LEU A 47 13.824 26.228 -26.089 1.00 2.43 C ATOM 0 H LEU A 47 11.408 30.177 -24.454 1.00 3.22 H new ATOM 0 HA LEU A 47 10.879 27.889 -25.984 1.00 13.31 H new ATOM 0 HB2 LEU A 47 12.977 29.507 -25.666 1.00 21.43 H new ATOM 0 HB3 LEU A 47 13.475 28.273 -24.526 1.00 21.43 H new ATOM 0 HG LEU A 47 12.708 27.540 -27.347 1.00 75.54 H new ATOM 0 HD11 LEU A 47 15.085 27.724 -27.967 1.00 44.12 H new ATOM 0 HD12 LEU A 47 14.391 29.304 -27.532 1.00 44.12 H new ATOM 0 HD13 LEU A 47 15.439 28.444 -26.379 1.00 44.12 H new ATOM 0 HD21 LEU A 47 14.241 25.658 -26.919 1.00 2.43 H new ATOM 0 HD22 LEU A 47 14.561 26.295 -25.288 1.00 2.43 H new ATOM 0 HD23 LEU A 47 12.929 25.728 -25.718 1.00 2.43 H new ATOM 732 N ALA A 48 11.755 27.271 -22.852 1.00 12.34 N ATOM 733 CA ALA A 48 11.716 26.256 -21.806 1.00 40.31 C ATOM 734 C ALA A 48 10.294 25.752 -21.583 1.00 3.10 C ATOM 735 O ALA A 48 10.079 24.570 -21.314 1.00 21.54 O ATOM 736 CB ALA A 48 12.291 26.810 -20.511 1.00 10.50 C ATOM 0 H ALA A 48 12.142 28.167 -22.556 1.00 12.34 H new ATOM 0 HA ALA A 48 12.326 25.413 -22.130 1.00 40.31 H new ATOM 0 HB1 ALA A 48 12.255 26.041 -19.739 1.00 10.50 H new ATOM 0 HB2 ALA A 48 13.325 27.114 -20.673 1.00 10.50 H new ATOM 0 HB3 ALA A 48 11.705 27.672 -20.192 1.00 10.50 H new ATOM 742 N LEU A 49 9.327 26.655 -21.696 1.00 12.32 N ATOM 743 CA LEU A 49 7.924 26.302 -21.506 1.00 23.03 C ATOM 744 C LEU A 49 7.399 25.501 -22.693 1.00 32.03 C ATOM 745 O LEU A 49 6.587 24.589 -22.530 1.00 42.05 O ATOM 746 CB LEU A 49 7.081 27.564 -21.314 1.00 44.03 C ATOM 747 CG LEU A 49 6.663 27.880 -19.878 1.00 35.10 C ATOM 748 CD1 LEU A 49 5.699 26.824 -19.359 1.00 12.44 C ATOM 749 CD2 LEU A 49 7.884 27.980 -18.976 1.00 20.41 C ATOM 0 H LEU A 49 9.488 27.637 -21.918 1.00 12.32 H new ATOM 0 HA LEU A 49 7.848 25.683 -20.612 1.00 23.03 H new ATOM 0 HB2 LEU A 49 7.642 28.414 -21.703 1.00 44.03 H new ATOM 0 HB3 LEU A 49 6.181 27.471 -21.921 1.00 44.03 H new ATOM 0 HG LEU A 49 6.153 28.843 -19.872 1.00 35.10 H new ATOM 0 HD11 LEU A 49 5.412 27.065 -18.335 1.00 12.44 H new ATOM 0 HD12 LEU A 49 4.810 26.802 -19.989 1.00 12.44 H new ATOM 0 HD13 LEU A 49 6.183 25.848 -19.380 1.00 12.44 H new ATOM 0 HD21 LEU A 49 7.567 28.205 -17.958 1.00 20.41 H new ATOM 0 HD22 LEU A 49 8.423 27.033 -18.987 1.00 20.41 H new ATOM 0 HD23 LEU A 49 8.538 28.774 -19.336 1.00 20.41 H new ATOM 761 N THR A 50 7.869 25.846 -23.888 1.00 15.14 N ATOM 762 CA THR A 50 7.447 25.159 -25.102 1.00 3.20 C ATOM 763 C THR A 50 7.961 23.724 -25.128 1.00 41.35 C ATOM 764 O THR A 50 7.268 22.814 -25.584 1.00 0.34 O ATOM 765 CB THR A 50 7.942 25.893 -26.363 1.00 30.02 C ATOM 766 OG1 THR A 50 7.551 27.270 -26.314 1.00 34.52 O ATOM 767 CG2 THR A 50 7.382 25.246 -27.620 1.00 72.34 C ATOM 0 H THR A 50 8.542 26.597 -24.041 1.00 15.14 H new ATOM 0 HA THR A 50 6.357 25.152 -25.099 1.00 3.20 H new ATOM 0 HB THR A 50 9.030 25.826 -26.392 1.00 30.02 H new ATOM 0 HG1 THR A 50 8.225 27.784 -25.823 1.00 34.52 H new ATOM 0 HG21 THR A 50 7.745 25.781 -28.497 1.00 72.34 H new ATOM 0 HG22 THR A 50 7.706 24.206 -27.669 1.00 72.34 H new ATOM 0 HG23 THR A 50 6.293 25.286 -27.596 1.00 72.34 H new ATOM 775 N VAL A 51 9.181 23.528 -24.637 1.00 15.10 N ATOM 776 CA VAL A 51 9.787 22.202 -24.603 1.00 13.54 C ATOM 777 C VAL A 51 9.000 21.262 -23.697 1.00 24.15 C ATOM 778 O VAL A 51 8.779 20.098 -24.033 1.00 44.44 O ATOM 779 CB VAL A 51 11.247 22.265 -24.116 1.00 14.43 C ATOM 780 CG1 VAL A 51 11.730 20.885 -23.697 1.00 11.43 C ATOM 781 CG2 VAL A 51 12.144 22.848 -25.197 1.00 71.13 C ATOM 0 H VAL A 51 9.769 24.270 -24.258 1.00 15.10 H new ATOM 0 HA VAL A 51 9.769 21.818 -25.623 1.00 13.54 H new ATOM 0 HB VAL A 51 11.294 22.919 -23.246 1.00 14.43 H new ATOM 0 HG11 VAL A 51 12.763 20.949 -23.356 1.00 11.43 H new ATOM 0 HG12 VAL A 51 11.103 20.510 -22.888 1.00 11.43 H new ATOM 0 HG13 VAL A 51 11.670 20.205 -24.547 1.00 11.43 H new ATOM 0 HG21 VAL A 51 13.172 22.885 -24.836 1.00 71.13 H new ATOM 0 HG22 VAL A 51 12.095 22.222 -26.088 1.00 71.13 H new ATOM 0 HG23 VAL A 51 11.809 23.856 -25.443 1.00 71.13 H new ATOM 791 N PHE A 52 8.579 21.774 -22.545 1.00 23.54 N ATOM 792 CA PHE A 52 7.817 20.979 -21.588 1.00 41.04 C ATOM 793 C PHE A 52 6.379 20.791 -22.061 1.00 54.45 C ATOM 794 O PHE A 52 5.793 19.720 -21.896 1.00 10.53 O ATOM 795 CB PHE A 52 7.830 21.648 -20.212 1.00 62.23 C ATOM 796 CG PHE A 52 8.959 21.190 -19.334 1.00 4.00 C ATOM 797 CD1 PHE A 52 9.130 19.845 -19.047 1.00 0.31 C ATOM 798 CD2 PHE A 52 9.850 22.105 -18.795 1.00 31.40 C ATOM 799 CE1 PHE A 52 10.168 19.421 -18.239 1.00 63.44 C ATOM 800 CE2 PHE A 52 10.890 21.686 -17.987 1.00 62.32 C ATOM 801 CZ PHE A 52 11.049 20.342 -17.708 1.00 51.30 C ATOM 0 H PHE A 52 8.752 22.735 -22.251 1.00 23.54 H new ATOM 0 HA PHE A 52 8.287 19.999 -21.512 1.00 41.04 H new ATOM 0 HB2 PHE A 52 7.897 22.728 -20.343 1.00 62.23 H new ATOM 0 HB3 PHE A 52 6.884 21.446 -19.709 1.00 62.23 H new ATOM 0 HD1 PHE A 52 8.444 19.120 -19.460 1.00 0.31 H new ATOM 0 HD2 PHE A 52 9.730 23.157 -19.009 1.00 31.40 H new ATOM 0 HE1 PHE A 52 10.290 18.370 -18.023 1.00 63.44 H new ATOM 0 HE2 PHE A 52 11.578 22.409 -17.574 1.00 62.32 H new ATOM 0 HZ PHE A 52 11.861 20.013 -17.076 1.00 51.30 H new ATOM 811 N LEU A 53 5.815 21.840 -22.651 1.00 34.14 N ATOM 812 CA LEU A 53 4.444 21.793 -23.148 1.00 70.50 C ATOM 813 C LEU A 53 4.311 20.781 -24.282 1.00 32.33 C ATOM 814 O LEU A 53 3.524 19.837 -24.196 1.00 62.45 O ATOM 815 CB LEU A 53 4.008 23.177 -23.631 1.00 34.21 C ATOM 816 CG LEU A 53 2.499 23.416 -23.709 1.00 23.12 C ATOM 817 CD1 LEU A 53 2.191 24.904 -23.646 1.00 33.30 C ATOM 818 CD2 LEU A 53 1.927 22.804 -24.979 1.00 63.22 C ATOM 0 H LEU A 53 6.286 22.733 -22.797 1.00 34.14 H new ATOM 0 HA LEU A 53 3.797 21.481 -22.328 1.00 70.50 H new ATOM 0 HB2 LEU A 53 4.440 23.925 -22.966 1.00 34.21 H new ATOM 0 HB3 LEU A 53 4.434 23.346 -24.620 1.00 34.21 H new ATOM 0 HG LEU A 53 2.029 22.932 -22.853 1.00 23.12 H new ATOM 0 HD11 LEU A 53 1.113 25.055 -23.703 1.00 33.30 H new ATOM 0 HD12 LEU A 53 2.566 25.314 -22.708 1.00 33.30 H new ATOM 0 HD13 LEU A 53 2.673 25.411 -24.482 1.00 33.30 H new ATOM 0 HD21 LEU A 53 0.853 22.984 -25.018 1.00 63.22 H new ATOM 0 HD22 LEU A 53 2.402 23.259 -25.848 1.00 63.22 H new ATOM 0 HD23 LEU A 53 2.116 21.730 -24.982 1.00 63.22 H new ATOM 830 N LEU A 54 5.086 20.982 -25.342 1.00 13.43 N ATOM 831 CA LEU A 54 5.056 20.086 -26.492 1.00 44.34 C ATOM 832 C LEU A 54 5.266 18.638 -26.061 1.00 1.53 C ATOM 833 O LEU A 54 4.652 17.721 -26.607 1.00 52.21 O ATOM 834 CB LEU A 54 6.130 20.489 -27.505 1.00 0.22 C ATOM 835 CG LEU A 54 5.749 21.604 -28.479 1.00 51.15 C ATOM 836 CD1 LEU A 54 6.942 21.993 -29.338 1.00 41.24 C ATOM 837 CD2 LEU A 54 4.579 21.173 -29.352 1.00 62.11 C ATOM 0 H LEU A 54 5.743 21.758 -25.429 1.00 13.43 H new ATOM 0 HA LEU A 54 4.075 20.168 -26.959 1.00 44.34 H new ATOM 0 HB2 LEU A 54 7.019 20.801 -26.957 1.00 0.22 H new ATOM 0 HB3 LEU A 54 6.405 19.607 -28.083 1.00 0.22 H new ATOM 0 HG LEU A 54 5.443 22.476 -27.901 1.00 51.15 H new ATOM 0 HD11 LEU A 54 6.652 22.788 -30.025 1.00 41.24 H new ATOM 0 HD12 LEU A 54 7.752 22.344 -28.698 1.00 41.24 H new ATOM 0 HD13 LEU A 54 7.279 21.126 -29.907 1.00 41.24 H new ATOM 0 HD21 LEU A 54 4.321 21.979 -30.039 1.00 62.11 H new ATOM 0 HD22 LEU A 54 4.857 20.286 -29.921 1.00 62.11 H new ATOM 0 HD23 LEU A 54 3.719 20.945 -28.722 1.00 62.11 H new ATOM 849 N LEU A 55 6.135 18.440 -25.076 1.00 4.41 N ATOM 850 CA LEU A 55 6.425 17.104 -24.568 1.00 72.32 C ATOM 851 C LEU A 55 5.143 16.392 -24.147 1.00 22.10 C ATOM 852 O LEU A 55 4.868 15.276 -24.589 1.00 15.11 O ATOM 853 CB LEU A 55 7.390 17.184 -23.384 1.00 52.40 C ATOM 854 CG LEU A 55 8.023 15.864 -22.943 1.00 41.41 C ATOM 855 CD1 LEU A 55 9.438 16.095 -22.435 1.00 60.53 C ATOM 856 CD2 LEU A 55 7.173 15.196 -21.873 1.00 35.10 C ATOM 0 H LEU A 55 6.651 19.188 -24.613 1.00 4.41 H new ATOM 0 HA LEU A 55 6.891 16.531 -25.369 1.00 72.32 H new ATOM 0 HB2 LEU A 55 8.189 17.880 -23.639 1.00 52.40 H new ATOM 0 HB3 LEU A 55 6.856 17.610 -22.534 1.00 52.40 H new ATOM 0 HG LEU A 55 8.072 15.200 -23.806 1.00 41.41 H new ATOM 0 HD11 LEU A 55 9.873 15.145 -22.125 1.00 60.53 H new ATOM 0 HD12 LEU A 55 10.044 16.529 -23.230 1.00 60.53 H new ATOM 0 HD13 LEU A 55 9.413 16.777 -21.585 1.00 60.53 H new ATOM 0 HD21 LEU A 55 7.639 14.258 -21.571 1.00 35.10 H new ATOM 0 HD22 LEU A 55 7.092 15.855 -21.009 1.00 35.10 H new ATOM 0 HD23 LEU A 55 6.178 14.995 -22.271 1.00 35.10 H new ATOM 868 N ILE A 56 4.363 17.045 -23.292 1.00 43.23 N ATOM 869 CA ILE A 56 3.109 16.476 -22.815 1.00 24.03 C ATOM 870 C ILE A 56 2.115 16.299 -23.958 1.00 25.25 C ATOM 871 O ILE A 56 1.365 15.324 -23.996 1.00 22.32 O ATOM 872 CB ILE A 56 2.470 17.357 -21.725 1.00 60.02 C ATOM 873 CG1 ILE A 56 3.269 17.258 -20.424 1.00 63.23 C ATOM 874 CG2 ILE A 56 1.022 16.949 -21.496 1.00 43.12 C ATOM 875 CD1 ILE A 56 3.850 18.578 -19.970 1.00 1.53 C ATOM 0 H ILE A 56 4.578 17.968 -22.916 1.00 43.23 H new ATOM 0 HA ILE A 56 3.347 15.501 -22.390 1.00 24.03 H new ATOM 0 HB ILE A 56 2.487 18.394 -22.061 1.00 60.02 H new ATOM 0 HG12 ILE A 56 2.622 16.866 -19.639 1.00 63.23 H new ATOM 0 HG13 ILE A 56 4.079 16.541 -20.558 1.00 63.23 H new ATOM 0 HG21 ILE A 56 0.584 17.580 -20.723 1.00 43.12 H new ATOM 0 HG22 ILE A 56 0.460 17.067 -22.422 1.00 43.12 H new ATOM 0 HG23 ILE A 56 0.983 15.907 -21.178 1.00 43.12 H new ATOM 0 HD11 ILE A 56 4.403 18.432 -19.042 1.00 1.53 H new ATOM 0 HD12 ILE A 56 4.523 18.962 -20.737 1.00 1.53 H new ATOM 0 HD13 ILE A 56 3.044 19.292 -19.803 1.00 1.53 H new ATOM 1056 N SER A 69 -2.440 12.012 -15.772 1.00 70.12 N ATOM 1057 CA SER A 69 -3.022 13.223 -15.206 1.00 75.20 C ATOM 1058 C SER A 69 -2.282 14.463 -15.697 1.00 63.11 C ATOM 1059 O SER A 69 -2.352 15.527 -15.081 1.00 64.42 O ATOM 1060 CB SER A 69 -2.986 13.165 -13.678 1.00 13.14 C ATOM 1061 OG SER A 69 -3.833 14.149 -13.110 1.00 11.31 O ATOM 0 HA SER A 69 -4.059 13.286 -15.536 1.00 75.20 H new ATOM 0 HB2 SER A 69 -3.296 12.176 -13.341 1.00 13.14 H new ATOM 0 HB3 SER A 69 -1.964 13.315 -13.329 1.00 13.14 H new ATOM 0 HG SER A 69 -3.672 15.011 -13.547 1.00 11.31 H new ATOM 1067 N VAL A 70 -1.571 14.318 -16.811 1.00 74.33 N ATOM 1068 CA VAL A 70 -0.818 15.425 -17.387 1.00 44.01 C ATOM 1069 C VAL A 70 -1.751 16.489 -17.955 1.00 22.34 C ATOM 1070 O VAL A 70 -1.419 17.673 -17.975 1.00 53.22 O ATOM 1071 CB VAL A 70 0.129 14.940 -18.502 1.00 14.44 C ATOM 1072 CG1 VAL A 70 1.079 13.878 -17.971 1.00 73.40 C ATOM 1073 CG2 VAL A 70 -0.669 14.412 -19.684 1.00 62.24 C ATOM 0 H VAL A 70 -1.501 13.444 -17.332 1.00 74.33 H new ATOM 0 HA VAL A 70 -0.226 15.858 -16.581 1.00 44.01 H new ATOM 0 HB VAL A 70 0.725 15.786 -18.844 1.00 14.44 H new ATOM 0 HG11 VAL A 70 1.740 13.548 -18.772 1.00 73.40 H new ATOM 0 HG12 VAL A 70 1.674 14.295 -17.159 1.00 73.40 H new ATOM 0 HG13 VAL A 70 0.505 13.029 -17.601 1.00 73.40 H new ATOM 0 HG21 VAL A 70 0.015 14.074 -20.463 1.00 62.24 H new ATOM 0 HG22 VAL A 70 -1.291 13.578 -19.360 1.00 62.24 H new ATOM 0 HG23 VAL A 70 -1.303 15.206 -20.078 1.00 62.24 H new ATOM 1083 N GLY A 71 -2.921 16.057 -18.415 1.00 32.02 N ATOM 1084 CA GLY A 71 -3.885 16.985 -18.976 1.00 75.12 C ATOM 1085 C GLY A 71 -4.461 17.923 -17.935 1.00 14.55 C ATOM 1086 O GLY A 71 -4.760 19.080 -18.230 1.00 4.11 O ATOM 0 H GLY A 71 -3.218 15.081 -18.409 1.00 32.02 H new ATOM 0 HA2 GLY A 71 -3.407 17.569 -19.762 1.00 75.12 H new ATOM 0 HA3 GLY A 71 -4.695 16.424 -19.443 1.00 75.12 H new ATOM 1090 N GLU A 72 -4.620 17.424 -16.713 1.00 25.22 N ATOM 1091 CA GLU A 72 -5.166 18.226 -15.625 1.00 13.31 C ATOM 1092 C GLU A 72 -4.189 19.323 -15.213 1.00 45.23 C ATOM 1093 O GLU A 72 -4.481 20.512 -15.345 1.00 30.02 O ATOM 1094 CB GLU A 72 -5.491 17.340 -14.421 1.00 74.30 C ATOM 1095 CG GLU A 72 -6.960 17.359 -14.030 1.00 25.22 C ATOM 1096 CD GLU A 72 -7.369 16.131 -13.239 1.00 44.32 C ATOM 1097 OE1 GLU A 72 -6.861 15.955 -12.112 1.00 34.40 O ATOM 1098 OE2 GLU A 72 -8.197 15.347 -13.748 1.00 41.34 O ATOM 0 H GLU A 72 -4.378 16.468 -16.452 1.00 25.22 H new ATOM 0 HA GLU A 72 -6.084 18.695 -15.980 1.00 13.31 H new ATOM 0 HB2 GLU A 72 -5.197 16.315 -14.645 1.00 74.30 H new ATOM 0 HB3 GLU A 72 -4.893 17.665 -13.570 1.00 74.30 H new ATOM 0 HG2 GLU A 72 -7.163 18.252 -13.439 1.00 25.22 H new ATOM 0 HG3 GLU A 72 -7.571 17.427 -14.930 1.00 25.22 H new ATOM 1105 N TYR A 73 -3.027 18.915 -14.714 1.00 51.23 N ATOM 1106 CA TYR A 73 -2.007 19.862 -14.280 1.00 42.13 C ATOM 1107 C TYR A 73 -1.692 20.867 -15.384 1.00 5.21 C ATOM 1108 O TYR A 73 -1.554 22.064 -15.129 1.00 41.41 O ATOM 1109 CB TYR A 73 -0.733 19.120 -13.872 1.00 11.01 C ATOM 1110 CG TYR A 73 -0.940 18.142 -12.738 1.00 24.15 C ATOM 1111 CD1 TYR A 73 -1.296 18.584 -11.469 1.00 50.03 C ATOM 1112 CD2 TYR A 73 -0.777 16.776 -12.933 1.00 53.03 C ATOM 1113 CE1 TYR A 73 -1.485 17.694 -10.430 1.00 11.24 C ATOM 1114 CE2 TYR A 73 -0.966 15.879 -11.900 1.00 23.11 C ATOM 1115 CZ TYR A 73 -1.319 16.343 -10.650 1.00 33.20 C ATOM 1116 OH TYR A 73 -1.506 15.452 -9.618 1.00 14.44 O ATOM 0 H TYR A 73 -2.768 17.935 -14.600 1.00 51.23 H new ATOM 0 HA TYR A 73 -2.395 20.405 -13.418 1.00 42.13 H new ATOM 0 HB2 TYR A 73 -0.342 18.584 -14.737 1.00 11.01 H new ATOM 0 HB3 TYR A 73 0.024 19.848 -13.580 1.00 11.01 H new ATOM 0 HD1 TYR A 73 -1.427 19.641 -11.293 1.00 50.03 H new ATOM 0 HD2 TYR A 73 -0.498 16.409 -13.910 1.00 53.03 H new ATOM 0 HE1 TYR A 73 -1.761 18.054 -9.450 1.00 11.24 H new ATOM 0 HE2 TYR A 73 -0.838 14.820 -12.070 1.00 23.11 H new ATOM 0 HH TYR A 73 -1.351 14.540 -9.941 1.00 14.44 H new ATOM 1126 N LEU A 74 -1.579 20.372 -16.611 1.00 60.23 N ATOM 1127 CA LEU A 74 -1.281 21.225 -17.756 1.00 43.14 C ATOM 1128 C LEU A 74 -2.355 22.293 -17.934 1.00 0.31 C ATOM 1129 O LEU A 74 -2.063 23.421 -18.332 1.00 32.33 O ATOM 1130 CB LEU A 74 -1.167 20.384 -19.029 1.00 31.53 C ATOM 1131 CG LEU A 74 -0.912 21.156 -20.324 1.00 34.33 C ATOM 1132 CD1 LEU A 74 0.370 21.967 -20.218 1.00 71.53 C ATOM 1133 CD2 LEU A 74 -0.847 20.203 -21.509 1.00 14.24 C ATOM 0 H LEU A 74 -1.689 19.384 -16.839 1.00 60.23 H new ATOM 0 HA LEU A 74 -0.329 21.721 -17.569 1.00 43.14 H new ATOM 0 HB2 LEU A 74 -0.360 19.664 -18.894 1.00 31.53 H new ATOM 0 HB3 LEU A 74 -2.087 19.812 -19.146 1.00 31.53 H new ATOM 0 HG LEU A 74 -1.741 21.845 -20.483 1.00 34.33 H new ATOM 0 HD11 LEU A 74 0.535 22.510 -21.149 1.00 71.53 H new ATOM 0 HD12 LEU A 74 0.285 22.676 -19.395 1.00 71.53 H new ATOM 0 HD13 LEU A 74 1.210 21.297 -20.035 1.00 71.53 H new ATOM 0 HD21 LEU A 74 -0.665 20.770 -22.422 1.00 14.24 H new ATOM 0 HD22 LEU A 74 -0.038 19.489 -21.358 1.00 14.24 H new ATOM 0 HD23 LEU A 74 -1.792 19.667 -21.597 1.00 14.24 H new ATOM 1145 N MET A 75 -3.598 21.931 -17.634 1.00 61.21 N ATOM 1146 CA MET A 75 -4.715 22.860 -17.757 1.00 73.34 C ATOM 1147 C MET A 75 -4.505 24.084 -16.873 1.00 5.25 C ATOM 1148 O MET A 75 -4.623 25.221 -17.330 1.00 51.03 O ATOM 1149 CB MET A 75 -6.027 22.166 -17.384 1.00 63.12 C ATOM 1150 CG MET A 75 -7.221 22.648 -18.192 1.00 3.32 C ATOM 1151 SD MET A 75 -8.078 24.027 -17.408 1.00 34.04 S ATOM 1152 CE MET A 75 -7.796 25.327 -18.607 1.00 11.35 C ATOM 0 H MET A 75 -3.857 21.001 -17.304 1.00 61.21 H new ATOM 0 HA MET A 75 -4.768 23.189 -18.795 1.00 73.34 H new ATOM 0 HB2 MET A 75 -5.913 21.091 -17.526 1.00 63.12 H new ATOM 0 HB3 MET A 75 -6.226 22.329 -16.325 1.00 63.12 H new ATOM 0 HG2 MET A 75 -6.885 22.950 -19.184 1.00 3.32 H new ATOM 0 HG3 MET A 75 -7.919 21.822 -18.330 1.00 3.32 H new ATOM 0 HE1 MET A 75 -8.205 26.264 -18.230 1.00 11.35 H new ATOM 0 HE2 MET A 75 -6.725 25.441 -18.775 1.00 11.35 H new ATOM 0 HE3 MET A 75 -8.286 25.068 -19.546 1.00 11.35 H new ATOM 1162 N PHE A 76 -4.192 23.845 -15.603 1.00 61.23 N ATOM 1163 CA PHE A 76 -3.966 24.928 -14.654 1.00 40.51 C ATOM 1164 C PHE A 76 -2.635 25.623 -14.928 1.00 53.12 C ATOM 1165 O PHE A 76 -2.435 26.778 -14.552 1.00 2.45 O ATOM 1166 CB PHE A 76 -3.989 24.393 -13.221 1.00 62.30 C ATOM 1167 CG PHE A 76 -5.281 23.723 -12.852 1.00 74.31 C ATOM 1168 CD1 PHE A 76 -6.493 24.362 -13.061 1.00 62.34 C ATOM 1169 CD2 PHE A 76 -5.285 22.454 -12.295 1.00 60.24 C ATOM 1170 CE1 PHE A 76 -7.684 23.748 -12.723 1.00 72.24 C ATOM 1171 CE2 PHE A 76 -6.473 21.835 -11.956 1.00 31.22 C ATOM 1172 CZ PHE A 76 -7.674 22.483 -12.169 1.00 10.02 C ATOM 0 H PHE A 76 -4.089 22.910 -15.208 1.00 61.23 H new ATOM 0 HA PHE A 76 -4.768 25.656 -14.775 1.00 40.51 H new ATOM 0 HB2 PHE A 76 -3.172 23.683 -13.094 1.00 62.30 H new ATOM 0 HB3 PHE A 76 -3.806 25.217 -12.531 1.00 62.30 H new ATOM 0 HD1 PHE A 76 -6.507 25.352 -13.493 1.00 62.34 H new ATOM 0 HD2 PHE A 76 -4.349 21.943 -12.124 1.00 60.24 H new ATOM 0 HE1 PHE A 76 -8.622 24.257 -12.892 1.00 72.24 H new ATOM 0 HE2 PHE A 76 -6.462 20.845 -11.525 1.00 31.22 H new ATOM 0 HZ PHE A 76 -8.603 22.001 -11.903 1.00 10.02 H new ATOM 1182 N THR A 77 -1.727 24.910 -15.587 1.00 1.00 N ATOM 1183 CA THR A 77 -0.415 25.455 -15.910 1.00 43.55 C ATOM 1184 C THR A 77 -0.496 26.421 -17.087 1.00 65.15 C ATOM 1185 O THR A 77 0.120 27.486 -17.072 1.00 5.12 O ATOM 1186 CB THR A 77 0.591 24.338 -16.246 1.00 0.02 C ATOM 1187 OG1 THR A 77 1.096 23.755 -15.039 1.00 74.23 O ATOM 1188 CG2 THR A 77 1.746 24.880 -17.075 1.00 12.25 C ATOM 0 H THR A 77 -1.877 23.953 -15.907 1.00 1.00 H new ATOM 0 HA THR A 77 -0.069 25.991 -15.026 1.00 43.55 H new ATOM 0 HB THR A 77 0.073 23.576 -16.829 1.00 0.02 H new ATOM 0 HG1 THR A 77 0.454 23.096 -14.700 1.00 74.23 H new ATOM 0 HG21 THR A 77 2.443 24.073 -17.300 1.00 12.25 H new ATOM 0 HG22 THR A 77 1.362 25.297 -18.006 1.00 12.25 H new ATOM 0 HG23 THR A 77 2.262 25.659 -16.514 1.00 12.25 H new ATOM 1196 N MET A 78 -1.259 26.041 -18.107 1.00 15.54 N ATOM 1197 CA MET A 78 -1.422 26.876 -19.292 1.00 22.24 C ATOM 1198 C MET A 78 -2.113 28.190 -18.941 1.00 25.22 C ATOM 1199 O MET A 78 -1.764 29.246 -19.468 1.00 42.12 O ATOM 1200 CB MET A 78 -2.227 26.132 -20.359 1.00 2.01 C ATOM 1201 CG MET A 78 -1.482 25.962 -21.673 1.00 71.21 C ATOM 1202 SD MET A 78 -1.368 27.498 -22.611 1.00 22.24 S ATOM 1203 CE MET A 78 0.181 28.155 -21.996 1.00 61.24 C ATOM 0 H MET A 78 -1.774 25.161 -18.137 1.00 15.54 H new ATOM 0 HA MET A 78 -0.431 27.102 -19.686 1.00 22.24 H new ATOM 0 HB2 MET A 78 -2.501 25.149 -19.976 1.00 2.01 H new ATOM 0 HB3 MET A 78 -3.156 26.672 -20.544 1.00 2.01 H new ATOM 0 HG2 MET A 78 -0.478 25.589 -21.471 1.00 71.21 H new ATOM 0 HG3 MET A 78 -1.987 25.208 -22.277 1.00 71.21 H new ATOM 0 HE1 MET A 78 0.708 28.661 -22.805 1.00 61.24 H new ATOM 0 HE2 MET A 78 -0.018 28.865 -21.193 1.00 61.24 H new ATOM 0 HE3 MET A 78 0.797 27.340 -21.616 1.00 61.24 H new ATOM 1213 N VAL A 79 -3.094 28.117 -18.047 1.00 53.24 N ATOM 1214 CA VAL A 79 -3.833 29.301 -17.626 1.00 14.11 C ATOM 1215 C VAL A 79 -2.910 30.320 -16.967 1.00 70.14 C ATOM 1216 O VAL A 79 -2.856 31.481 -17.376 1.00 70.31 O ATOM 1217 CB VAL A 79 -4.962 28.938 -16.643 1.00 75.43 C ATOM 1218 CG1 VAL A 79 -5.332 30.139 -15.786 1.00 73.35 C ATOM 1219 CG2 VAL A 79 -6.177 28.416 -17.397 1.00 25.21 C ATOM 0 H VAL A 79 -3.395 27.251 -17.601 1.00 53.24 H new ATOM 0 HA VAL A 79 -4.269 29.737 -18.525 1.00 14.11 H new ATOM 0 HB VAL A 79 -4.605 28.148 -15.983 1.00 75.43 H new ATOM 0 HG11 VAL A 79 -6.131 29.863 -15.098 1.00 73.35 H new ATOM 0 HG12 VAL A 79 -4.460 30.463 -15.218 1.00 73.35 H new ATOM 0 HG13 VAL A 79 -5.670 30.953 -16.427 1.00 73.35 H new ATOM 0 HG21 VAL A 79 -6.965 28.164 -16.687 1.00 25.21 H new ATOM 0 HG22 VAL A 79 -6.537 29.183 -18.082 1.00 25.21 H new ATOM 0 HG23 VAL A 79 -5.900 27.526 -17.962 1.00 25.21 H new ATOM 1229 N LEU A 80 -2.184 29.879 -15.946 1.00 71.31 N ATOM 1230 CA LEU A 80 -1.261 30.752 -15.230 1.00 1.12 C ATOM 1231 C LEU A 80 -0.145 31.236 -16.150 1.00 3.23 C ATOM 1232 O LEU A 80 0.131 32.433 -16.232 1.00 41.21 O ATOM 1233 CB LEU A 80 -0.664 30.019 -14.027 1.00 12.51 C ATOM 1234 CG LEU A 80 -1.142 30.487 -12.652 1.00 1.14 C ATOM 1235 CD1 LEU A 80 -1.840 29.354 -11.915 1.00 44.12 C ATOM 1236 CD2 LEU A 80 0.026 31.018 -11.833 1.00 62.04 C ATOM 0 H LEU A 80 -2.217 28.922 -15.595 1.00 71.31 H new ATOM 0 HA LEU A 80 -1.819 31.620 -14.879 1.00 1.12 H new ATOM 0 HB2 LEU A 80 -0.889 28.957 -14.126 1.00 12.51 H new ATOM 0 HB3 LEU A 80 0.421 30.120 -14.067 1.00 12.51 H new ATOM 0 HG LEU A 80 -1.858 31.296 -12.794 1.00 1.14 H new ATOM 0 HD11 LEU A 80 -2.173 29.706 -10.939 1.00 44.12 H new ATOM 0 HD12 LEU A 80 -2.701 29.020 -12.494 1.00 44.12 H new ATOM 0 HD13 LEU A 80 -1.146 28.523 -11.784 1.00 44.12 H new ATOM 0 HD21 LEU A 80 -0.333 31.347 -10.858 1.00 62.04 H new ATOM 0 HD22 LEU A 80 0.766 30.229 -11.700 1.00 62.04 H new ATOM 0 HD23 LEU A 80 0.483 31.860 -12.354 1.00 62.04 H new ATOM 1248 N VAL A 81 0.494 30.298 -16.842 1.00 34.11 N ATOM 1249 CA VAL A 81 1.578 30.629 -17.759 1.00 33.30 C ATOM 1250 C VAL A 81 1.131 31.661 -18.788 1.00 70.45 C ATOM 1251 O VAL A 81 1.878 32.579 -19.129 1.00 70.42 O ATOM 1252 CB VAL A 81 2.093 29.377 -18.493 1.00 63.14 C ATOM 1253 CG1 VAL A 81 2.936 29.773 -19.696 1.00 62.52 C ATOM 1254 CG2 VAL A 81 2.887 28.492 -17.544 1.00 75.41 C ATOM 0 H VAL A 81 0.279 29.302 -16.785 1.00 34.11 H new ATOM 0 HA VAL A 81 2.386 31.047 -17.158 1.00 33.30 H new ATOM 0 HB VAL A 81 1.235 28.808 -18.851 1.00 63.14 H new ATOM 0 HG11 VAL A 81 3.291 28.876 -20.202 1.00 62.52 H new ATOM 0 HG12 VAL A 81 2.332 30.363 -20.385 1.00 62.52 H new ATOM 0 HG13 VAL A 81 3.789 30.364 -19.364 1.00 62.52 H new ATOM 0 HG21 VAL A 81 3.243 27.612 -18.079 1.00 75.41 H new ATOM 0 HG22 VAL A 81 3.739 29.049 -17.154 1.00 75.41 H new ATOM 0 HG23 VAL A 81 2.249 28.180 -16.718 1.00 75.41 H new ATOM 1264 N THR A 82 -0.094 31.505 -19.282 1.00 22.23 N ATOM 1265 CA THR A 82 -0.641 32.422 -20.273 1.00 41.22 C ATOM 1266 C THR A 82 -0.733 33.839 -19.719 1.00 54.32 C ATOM 1267 O THR A 82 -0.549 34.815 -20.448 1.00 34.44 O ATOM 1268 CB THR A 82 -2.038 31.974 -20.742 1.00 50.34 C ATOM 1269 OG1 THR A 82 -1.916 30.955 -21.741 1.00 51.41 O ATOM 1270 CG2 THR A 82 -2.823 33.150 -21.304 1.00 11.34 C ATOM 0 H THR A 82 -0.726 30.751 -19.011 1.00 22.23 H new ATOM 0 HA THR A 82 0.040 32.411 -21.124 1.00 41.22 H new ATOM 0 HB THR A 82 -2.576 31.576 -19.881 1.00 50.34 H new ATOM 0 HG1 THR A 82 -1.811 30.083 -21.307 1.00 51.41 H new ATOM 0 HG21 THR A 82 -3.806 32.809 -21.629 1.00 11.34 H new ATOM 0 HG22 THR A 82 -2.939 33.912 -20.533 1.00 11.34 H new ATOM 0 HG23 THR A 82 -2.287 33.573 -22.154 1.00 11.34 H new ATOM 1278 N PHE A 83 -1.019 33.946 -18.426 1.00 0.42 N ATOM 1279 CA PHE A 83 -1.136 35.246 -17.774 1.00 33.52 C ATOM 1280 C PHE A 83 0.164 36.035 -17.896 1.00 21.54 C ATOM 1281 O PHE A 83 0.167 37.183 -18.339 1.00 72.20 O ATOM 1282 CB PHE A 83 -1.502 35.068 -16.299 1.00 13.43 C ATOM 1283 CG PHE A 83 -2.631 35.953 -15.851 1.00 21.52 C ATOM 1284 CD1 PHE A 83 -2.404 37.283 -15.539 1.00 12.23 C ATOM 1285 CD2 PHE A 83 -3.919 35.453 -15.741 1.00 65.44 C ATOM 1286 CE1 PHE A 83 -3.441 38.100 -15.127 1.00 24.34 C ATOM 1287 CE2 PHE A 83 -4.959 36.264 -15.330 1.00 42.22 C ATOM 1288 CZ PHE A 83 -4.719 37.589 -15.021 1.00 54.02 C ATOM 0 H PHE A 83 -1.174 33.149 -17.809 1.00 0.42 H new ATOM 0 HA PHE A 83 -1.927 35.806 -18.273 1.00 33.52 H new ATOM 0 HB2 PHE A 83 -1.775 34.027 -16.123 1.00 13.43 H new ATOM 0 HB3 PHE A 83 -0.624 35.275 -15.687 1.00 13.43 H new ATOM 0 HD1 PHE A 83 -1.406 37.687 -15.618 1.00 12.23 H new ATOM 0 HD2 PHE A 83 -4.112 34.417 -15.979 1.00 65.44 H new ATOM 0 HE1 PHE A 83 -3.251 39.136 -14.889 1.00 24.34 H new ATOM 0 HE2 PHE A 83 -5.959 35.863 -15.250 1.00 42.22 H new ATOM 0 HZ PHE A 83 -5.530 38.224 -14.697 1.00 54.02 H new ATOM 1298 N SER A 84 1.268 35.410 -17.498 1.00 31.30 N ATOM 1299 CA SER A 84 2.575 36.054 -17.558 1.00 33.10 C ATOM 1300 C SER A 84 2.844 36.607 -18.954 1.00 63.21 C ATOM 1301 O SER A 84 3.228 37.766 -19.111 1.00 13.41 O ATOM 1302 CB SER A 84 3.674 35.063 -17.168 1.00 55.24 C ATOM 1303 OG SER A 84 4.053 35.229 -15.813 1.00 75.01 O ATOM 0 H SER A 84 1.283 34.459 -17.131 1.00 31.30 H new ATOM 0 HA SER A 84 2.577 36.884 -16.851 1.00 33.10 H new ATOM 0 HB2 SER A 84 3.322 34.044 -17.328 1.00 55.24 H new ATOM 0 HB3 SER A 84 4.542 35.206 -17.812 1.00 55.24 H new ATOM 0 HG SER A 84 3.317 34.947 -15.231 1.00 75.01 H new ATOM 1309 N ILE A 85 2.641 35.769 -19.965 1.00 30.52 N ATOM 1310 CA ILE A 85 2.861 36.173 -21.348 1.00 33.21 C ATOM 1311 C ILE A 85 1.958 37.342 -21.729 1.00 25.31 C ATOM 1312 O ILE A 85 2.361 38.232 -22.478 1.00 74.24 O ATOM 1313 CB ILE A 85 2.610 35.007 -22.322 1.00 33.50 C ATOM 1314 CG1 ILE A 85 3.539 33.835 -21.999 1.00 61.21 C ATOM 1315 CG2 ILE A 85 2.806 35.465 -23.759 1.00 42.22 C ATOM 1316 CD1 ILE A 85 5.006 34.203 -22.024 1.00 22.44 C ATOM 0 H ILE A 85 2.324 34.806 -19.852 1.00 30.52 H new ATOM 0 HA ILE A 85 3.904 36.482 -21.425 1.00 33.21 H new ATOM 0 HB ILE A 85 1.579 34.672 -22.206 1.00 33.50 H new ATOM 0 HG12 ILE A 85 3.288 33.443 -21.013 1.00 61.21 H new ATOM 0 HG13 ILE A 85 3.362 33.033 -22.715 1.00 61.21 H new ATOM 0 HG21 ILE A 85 2.625 34.629 -24.435 1.00 42.22 H new ATOM 0 HG22 ILE A 85 2.107 36.271 -23.983 1.00 42.22 H new ATOM 0 HG23 ILE A 85 3.827 35.824 -23.891 1.00 42.22 H new ATOM 0 HD11 ILE A 85 5.606 33.324 -21.786 1.00 22.44 H new ATOM 0 HD12 ILE A 85 5.273 34.567 -23.016 1.00 22.44 H new ATOM 0 HD13 ILE A 85 5.198 34.983 -21.288 1.00 22.44 H new ATOM 1328 N VAL A 86 0.736 37.334 -21.206 1.00 64.21 N ATOM 1329 CA VAL A 86 -0.223 38.395 -21.489 1.00 21.23 C ATOM 1330 C VAL A 86 0.260 39.733 -20.940 1.00 62.24 C ATOM 1331 O VAL A 86 0.043 40.781 -21.549 1.00 12.33 O ATOM 1332 CB VAL A 86 -1.605 38.076 -20.889 1.00 74.22 C ATOM 1333 CG1 VAL A 86 -2.481 39.320 -20.874 1.00 60.53 C ATOM 1334 CG2 VAL A 86 -2.275 36.951 -21.665 1.00 13.54 C ATOM 0 H VAL A 86 0.387 36.605 -20.584 1.00 64.21 H new ATOM 0 HA VAL A 86 -0.312 38.461 -22.573 1.00 21.23 H new ATOM 0 HB VAL A 86 -1.468 37.745 -19.859 1.00 74.22 H new ATOM 0 HG11 VAL A 86 -3.453 39.075 -20.447 1.00 60.53 H new ATOM 0 HG12 VAL A 86 -2.004 40.093 -20.272 1.00 60.53 H new ATOM 0 HG13 VAL A 86 -2.614 39.684 -21.893 1.00 60.53 H new ATOM 0 HG21 VAL A 86 -3.251 36.738 -21.228 1.00 13.54 H new ATOM 0 HG22 VAL A 86 -2.401 37.251 -22.705 1.00 13.54 H new ATOM 0 HG23 VAL A 86 -1.654 36.057 -21.618 1.00 13.54 H new ATOM 1344 N THR A 87 0.918 39.690 -19.786 1.00 2.31 N ATOM 1345 CA THR A 87 1.432 40.899 -19.154 1.00 63.13 C ATOM 1346 C THR A 87 2.628 41.454 -19.920 1.00 72.32 C ATOM 1347 O THR A 87 2.780 42.667 -20.058 1.00 0.53 O ATOM 1348 CB THR A 87 1.849 40.636 -17.695 1.00 10.42 C ATOM 1349 OG1 THR A 87 0.841 39.868 -17.028 1.00 63.33 O ATOM 1350 CG2 THR A 87 2.070 41.945 -16.951 1.00 43.04 C ATOM 0 H THR A 87 1.108 38.831 -19.270 1.00 2.31 H new ATOM 0 HA THR A 87 0.624 41.631 -19.167 1.00 63.13 H new ATOM 0 HB THR A 87 2.785 40.078 -17.703 1.00 10.42 H new ATOM 0 HG1 THR A 87 1.115 39.704 -16.101 1.00 63.33 H new ATOM 0 HG21 THR A 87 2.364 41.734 -15.923 1.00 43.04 H new ATOM 0 HG22 THR A 87 2.858 42.515 -17.444 1.00 43.04 H new ATOM 0 HG23 THR A 87 1.147 42.525 -16.953 1.00 43.04 H new ATOM 1358 N SER A 88 3.474 40.557 -20.418 1.00 13.31 N ATOM 1359 CA SER A 88 4.658 40.958 -21.168 1.00 42.00 C ATOM 1360 C SER A 88 4.277 41.460 -22.557 1.00 41.33 C ATOM 1361 O SER A 88 4.882 42.397 -23.079 1.00 61.11 O ATOM 1362 CB SER A 88 5.633 39.785 -21.287 1.00 43.21 C ATOM 1363 OG SER A 88 4.946 38.575 -21.552 1.00 75.02 O ATOM 0 H SER A 88 3.361 39.548 -20.315 1.00 13.31 H new ATOM 0 HA SER A 88 5.143 41.771 -20.627 1.00 42.00 H new ATOM 0 HB2 SER A 88 6.349 39.983 -22.085 1.00 43.21 H new ATOM 0 HB3 SER A 88 6.204 39.688 -20.364 1.00 43.21 H new ATOM 0 HG SER A 88 4.077 38.775 -21.959 1.00 75.02 H new ATOM 1369 N VAL A 89 3.269 40.830 -23.152 1.00 12.13 N ATOM 1370 CA VAL A 89 2.805 41.212 -24.480 1.00 11.41 C ATOM 1371 C VAL A 89 2.200 42.612 -24.469 1.00 65.02 C ATOM 1372 O VAL A 89 2.271 43.337 -25.462 1.00 53.22 O ATOM 1373 CB VAL A 89 1.759 40.218 -25.017 1.00 71.50 C ATOM 1374 CG1 VAL A 89 1.045 40.796 -26.229 1.00 35.10 C ATOM 1375 CG2 VAL A 89 2.415 38.888 -25.359 1.00 12.14 C ATOM 0 H VAL A 89 2.758 40.052 -22.735 1.00 12.13 H new ATOM 0 HA VAL A 89 3.676 41.200 -25.135 1.00 11.41 H new ATOM 0 HB VAL A 89 1.017 40.042 -24.238 1.00 71.50 H new ATOM 0 HG11 VAL A 89 0.310 40.079 -26.594 1.00 35.10 H new ATOM 0 HG12 VAL A 89 0.541 41.721 -25.948 1.00 35.10 H new ATOM 0 HG13 VAL A 89 1.771 41.003 -27.015 1.00 35.10 H new ATOM 0 HG21 VAL A 89 1.661 38.197 -25.737 1.00 12.14 H new ATOM 0 HG22 VAL A 89 3.179 39.044 -26.121 1.00 12.14 H new ATOM 0 HG23 VAL A 89 2.875 38.469 -24.464 1.00 12.14 H new ATOM 1385 N CYS A 90 1.608 42.985 -23.341 1.00 14.52 N ATOM 1386 CA CYS A 90 0.990 44.299 -23.200 1.00 52.42 C ATOM 1387 C CYS A 90 2.029 45.351 -22.825 1.00 53.34 C ATOM 1388 O CYS A 90 1.954 46.498 -23.268 1.00 23.25 O ATOM 1389 CB CYS A 90 -0.114 44.256 -22.143 1.00 55.21 C ATOM 1390 SG CYS A 90 -1.774 44.550 -22.797 1.00 53.11 S ATOM 0 H CYS A 90 1.542 42.397 -22.510 1.00 14.52 H new ATOM 0 HA CYS A 90 0.553 44.572 -24.160 1.00 52.42 H new ATOM 0 HB2 CYS A 90 -0.095 43.283 -21.653 1.00 55.21 H new ATOM 0 HB3 CYS A 90 0.101 45.002 -21.378 1.00 55.21 H new ATOM 0 HG CYS A 90 -2.639 44.491 -21.828 1.00 53.11 H new ATOM 1396 N VAL A 91 2.997 44.954 -22.006 1.00 33.23 N ATOM 1397 CA VAL A 91 4.051 45.862 -21.570 1.00 52.13 C ATOM 1398 C VAL A 91 5.041 46.135 -22.697 1.00 22.12 C ATOM 1399 O VAL A 91 5.444 47.277 -22.921 1.00 41.11 O ATOM 1400 CB VAL A 91 4.813 45.297 -20.357 1.00 61.11 C ATOM 1401 CG1 VAL A 91 6.186 45.942 -20.241 1.00 32.21 C ATOM 1402 CG2 VAL A 91 4.010 45.501 -19.082 1.00 34.55 C ATOM 0 H VAL A 91 3.073 44.009 -21.631 1.00 33.23 H new ATOM 0 HA VAL A 91 3.566 46.795 -21.282 1.00 52.13 H new ATOM 0 HB VAL A 91 4.952 44.226 -20.504 1.00 61.11 H new ATOM 0 HG11 VAL A 91 6.710 45.530 -19.378 1.00 32.21 H new ATOM 0 HG12 VAL A 91 6.761 45.740 -21.145 1.00 32.21 H new ATOM 0 HG13 VAL A 91 6.073 47.019 -20.117 1.00 32.21 H new ATOM 0 HG21 VAL A 91 4.563 45.096 -18.235 1.00 34.55 H new ATOM 0 HG22 VAL A 91 3.838 46.566 -18.927 1.00 34.55 H new ATOM 0 HG23 VAL A 91 3.052 44.987 -19.169 1.00 34.55 H new ATOM 1412 N LEU A 92 5.430 45.079 -23.404 1.00 10.54 N ATOM 1413 CA LEU A 92 6.374 45.204 -24.509 1.00 53.40 C ATOM 1414 C LEU A 92 5.869 46.203 -25.546 1.00 34.41 C ATOM 1415 O LEU A 92 6.540 47.187 -25.852 1.00 54.14 O ATOM 1416 CB LEU A 92 6.604 43.842 -25.166 1.00 13.15 C ATOM 1417 CG LEU A 92 7.041 43.868 -26.631 1.00 13.34 C ATOM 1418 CD1 LEU A 92 8.324 44.669 -26.791 1.00 30.44 C ATOM 1419 CD2 LEU A 92 7.224 42.453 -27.158 1.00 33.40 C ATOM 0 H LEU A 92 5.106 44.127 -23.232 1.00 10.54 H new ATOM 0 HA LEU A 92 7.319 45.571 -24.108 1.00 53.40 H new ATOM 0 HB2 LEU A 92 7.360 43.307 -24.592 1.00 13.15 H new ATOM 0 HB3 LEU A 92 5.682 43.266 -25.093 1.00 13.15 H new ATOM 0 HG LEU A 92 6.259 44.353 -27.215 1.00 13.34 H new ATOM 0 HD11 LEU A 92 8.620 44.677 -27.840 1.00 30.44 H new ATOM 0 HD12 LEU A 92 8.159 45.692 -26.453 1.00 30.44 H new ATOM 0 HD13 LEU A 92 9.114 44.213 -26.194 1.00 30.44 H new ATOM 0 HD21 LEU A 92 7.535 42.491 -28.202 1.00 33.40 H new ATOM 0 HD22 LEU A 92 7.987 41.942 -26.571 1.00 33.40 H new ATOM 0 HD23 LEU A 92 6.282 41.911 -27.080 1.00 33.40 H new ATOM 1632 N GLY A 108 2.797 51.064 -9.734 1.00 5.43 N ATOM 1633 CA GLY A 108 3.192 49.803 -9.135 1.00 34.42 C ATOM 1634 C GLY A 108 2.422 48.626 -9.702 1.00 1.20 C ATOM 1635 O GLY A 108 2.377 47.555 -9.096 1.00 12.54 O ATOM 0 HA2 GLY A 108 4.259 49.647 -9.295 1.00 34.42 H new ATOM 0 HA3 GLY A 108 3.035 49.851 -8.057 1.00 34.42 H new ATOM 1639 N ILE A 109 1.814 48.825 -10.867 1.00 5.02 N ATOM 1640 CA ILE A 109 1.043 47.772 -11.515 1.00 32.23 C ATOM 1641 C ILE A 109 1.851 46.483 -11.619 1.00 32.24 C ATOM 1642 O ILE A 109 1.307 45.385 -11.492 1.00 43.42 O ATOM 1643 CB ILE A 109 0.587 48.194 -12.924 1.00 71.30 C ATOM 1644 CG1 ILE A 109 0.044 46.986 -13.691 1.00 41.21 C ATOM 1645 CG2 ILE A 109 1.738 48.836 -13.683 1.00 4.21 C ATOM 1646 CD1 ILE A 109 1.064 46.343 -14.605 1.00 34.33 C ATOM 0 H ILE A 109 1.841 49.706 -11.381 1.00 5.02 H new ATOM 0 HA ILE A 109 0.164 47.598 -10.895 1.00 32.23 H new ATOM 0 HB ILE A 109 -0.213 48.928 -12.826 1.00 71.30 H new ATOM 0 HG12 ILE A 109 -0.312 46.243 -12.978 1.00 41.21 H new ATOM 0 HG13 ILE A 109 -0.817 47.298 -14.283 1.00 41.21 H new ATOM 0 HG21 ILE A 109 1.400 49.129 -14.677 1.00 4.21 H new ATOM 0 HG22 ILE A 109 2.083 49.718 -13.143 1.00 4.21 H new ATOM 0 HG23 ILE A 109 2.557 48.122 -13.774 1.00 4.21 H new ATOM 0 HD11 ILE A 109 0.610 45.494 -15.116 1.00 34.33 H new ATOM 0 HD12 ILE A 109 1.403 47.071 -15.342 1.00 34.33 H new ATOM 0 HD13 ILE A 109 1.915 46.000 -14.016 1.00 34.33 H new ATOM 1658 N ASP A 110 3.152 46.624 -11.848 1.00 33.40 N ATOM 1659 CA ASP A 110 4.037 45.470 -11.966 1.00 15.41 C ATOM 1660 C ASP A 110 4.226 44.790 -10.614 1.00 11.23 C ATOM 1661 O ASP A 110 4.093 43.572 -10.497 1.00 35.14 O ATOM 1662 CB ASP A 110 5.392 45.897 -12.531 1.00 25.23 C ATOM 1663 CG ASP A 110 6.007 44.837 -13.424 1.00 33.11 C ATOM 1664 OD1 ASP A 110 5.635 43.653 -13.283 1.00 32.05 O ATOM 1665 OD2 ASP A 110 6.859 45.192 -14.265 1.00 32.52 O ATOM 0 H ASP A 110 3.617 47.525 -11.956 1.00 33.40 H new ATOM 0 HA ASP A 110 3.576 44.757 -12.649 1.00 15.41 H new ATOM 0 HB2 ASP A 110 5.271 46.820 -13.098 1.00 25.23 H new ATOM 0 HB3 ASP A 110 6.073 46.115 -11.708 1.00 25.23 H new ATOM 1670 N ARG A 111 4.538 45.585 -9.596 1.00 4.33 N ATOM 1671 CA ARG A 111 4.749 45.060 -8.252 1.00 75.42 C ATOM 1672 C ARG A 111 3.539 44.253 -7.789 1.00 0.04 C ATOM 1673 O ARG A 111 3.672 43.300 -7.020 1.00 25.20 O ATOM 1674 CB ARG A 111 5.020 46.202 -7.271 1.00 72.32 C ATOM 1675 CG ARG A 111 6.431 46.198 -6.708 1.00 5.41 C ATOM 1676 CD ARG A 111 7.431 46.759 -7.707 1.00 43.30 C ATOM 1677 NE ARG A 111 8.610 47.315 -7.048 1.00 63.13 N ATOM 1678 CZ ARG A 111 9.595 46.572 -6.555 1.00 41.11 C ATOM 1679 NH1 ARG A 111 9.543 45.250 -6.646 1.00 54.52 N ATOM 1680 NH2 ARG A 111 10.635 47.151 -5.970 1.00 5.42 N ATOM 0 H ARG A 111 4.650 46.596 -9.676 1.00 4.33 H new ATOM 0 HA ARG A 111 5.617 44.401 -8.278 1.00 75.42 H new ATOM 0 HB2 ARG A 111 4.841 47.152 -7.774 1.00 72.32 H new ATOM 0 HB3 ARG A 111 4.309 46.139 -6.447 1.00 72.32 H new ATOM 0 HG2 ARG A 111 6.460 46.788 -5.792 1.00 5.41 H new ATOM 0 HG3 ARG A 111 6.714 45.180 -6.441 1.00 5.41 H new ATOM 0 HD2 ARG A 111 7.738 45.971 -8.394 1.00 43.30 H new ATOM 0 HD3 ARG A 111 6.951 47.534 -8.305 1.00 43.30 H new ATOM 0 HE ARG A 111 8.681 48.329 -6.962 1.00 63.13 H new ATOM 0 HH11 ARG A 111 8.745 44.801 -7.096 1.00 54.52 H new ATOM 0 HH12 ARG A 111 10.301 44.682 -6.267 1.00 54.52 H new ATOM 0 HH21 ARG A 111 10.679 48.168 -5.898 1.00 5.42 H new ATOM 0 HH22 ARG A 111 11.391 46.580 -5.592 1.00 5.42 H new ATOM 1694 N LEU A 112 2.359 44.642 -8.260 1.00 65.32 N ATOM 1695 CA LEU A 112 1.125 43.955 -7.894 1.00 43.31 C ATOM 1696 C LEU A 112 1.088 42.550 -8.485 1.00 23.51 C ATOM 1697 O LEU A 112 0.842 41.573 -7.776 1.00 40.32 O ATOM 1698 CB LEU A 112 -0.087 44.755 -8.374 1.00 35.41 C ATOM 1699 CG LEU A 112 -0.829 45.557 -7.304 1.00 23.33 C ATOM 1700 CD1 LEU A 112 -0.265 46.966 -7.206 1.00 63.35 C ATOM 1701 CD2 LEU A 112 -2.320 45.597 -7.604 1.00 61.35 C ATOM 0 H LEU A 112 2.231 45.429 -8.896 1.00 65.32 H new ATOM 0 HA LEU A 112 1.092 43.872 -6.808 1.00 43.31 H new ATOM 0 HB2 LEU A 112 0.242 45.443 -9.152 1.00 35.41 H new ATOM 0 HB3 LEU A 112 -0.793 44.065 -8.837 1.00 35.41 H new ATOM 0 HG LEU A 112 -0.686 45.063 -6.343 1.00 23.33 H new ATOM 0 HD11 LEU A 112 -0.805 47.522 -6.440 1.00 63.35 H new ATOM 0 HD12 LEU A 112 0.791 46.917 -6.942 1.00 63.35 H new ATOM 0 HD13 LEU A 112 -0.376 47.470 -8.166 1.00 63.35 H new ATOM 0 HD21 LEU A 112 -2.831 46.172 -6.832 1.00 61.35 H new ATOM 0 HD22 LEU A 112 -2.483 46.066 -8.574 1.00 61.35 H new ATOM 0 HD23 LEU A 112 -2.715 44.581 -7.621 1.00 61.35 H new ATOM 1713 N PHE A 113 1.337 42.454 -9.787 1.00 34.32 N ATOM 1714 CA PHE A 113 1.333 41.167 -10.473 1.00 40.01 C ATOM 1715 C PHE A 113 2.489 40.293 -9.996 1.00 43.02 C ATOM 1716 O PHE A 113 2.432 39.066 -10.083 1.00 71.42 O ATOM 1717 CB PHE A 113 1.424 41.372 -11.987 1.00 4.13 C ATOM 1718 CG PHE A 113 2.261 40.337 -12.682 1.00 62.24 C ATOM 1719 CD1 PHE A 113 1.690 39.163 -13.147 1.00 12.11 C ATOM 1720 CD2 PHE A 113 3.619 40.538 -12.872 1.00 72.45 C ATOM 1721 CE1 PHE A 113 2.458 38.209 -13.787 1.00 33.43 C ATOM 1722 CE2 PHE A 113 4.392 39.587 -13.512 1.00 72.20 C ATOM 1723 CZ PHE A 113 3.810 38.421 -13.971 1.00 1.24 C ATOM 0 H PHE A 113 1.544 43.252 -10.388 1.00 34.32 H new ATOM 0 HA PHE A 113 0.397 40.661 -10.238 1.00 40.01 H new ATOM 0 HB2 PHE A 113 0.419 41.358 -12.409 1.00 4.13 H new ATOM 0 HB3 PHE A 113 1.840 42.359 -12.188 1.00 4.13 H new ATOM 0 HD1 PHE A 113 0.633 38.992 -13.008 1.00 12.11 H new ATOM 0 HD2 PHE A 113 4.079 41.448 -12.516 1.00 72.45 H new ATOM 0 HE1 PHE A 113 2.001 37.298 -14.143 1.00 33.43 H new ATOM 0 HE2 PHE A 113 5.449 39.755 -13.653 1.00 72.20 H new ATOM 0 HZ PHE A 113 4.411 37.677 -14.473 1.00 1.24 H new ATOM 1733 N LEU A 114 3.539 40.934 -9.493 1.00 35.32 N ATOM 1734 CA LEU A 114 4.710 40.216 -9.002 1.00 31.00 C ATOM 1735 C LEU A 114 4.377 39.429 -7.739 1.00 35.14 C ATOM 1736 O LEU A 114 4.785 38.278 -7.587 1.00 71.41 O ATOM 1737 CB LEU A 114 5.851 41.195 -8.720 1.00 62.25 C ATOM 1738 CG LEU A 114 6.885 41.359 -9.835 1.00 52.23 C ATOM 1739 CD1 LEU A 114 7.249 42.825 -10.014 1.00 14.00 C ATOM 1740 CD2 LEU A 114 8.127 40.532 -9.537 1.00 52.13 C ATOM 0 H LEU A 114 3.603 41.949 -9.415 1.00 35.32 H new ATOM 0 HA LEU A 114 5.024 39.513 -9.773 1.00 31.00 H new ATOM 0 HB2 LEU A 114 5.420 42.173 -8.505 1.00 62.25 H new ATOM 0 HB3 LEU A 114 6.368 40.869 -7.817 1.00 62.25 H new ATOM 0 HG LEU A 114 6.447 40.998 -10.766 1.00 52.23 H new ATOM 0 HD11 LEU A 114 7.986 42.922 -10.811 1.00 14.00 H new ATOM 0 HD12 LEU A 114 6.356 43.393 -10.274 1.00 14.00 H new ATOM 0 HD13 LEU A 114 7.667 43.212 -9.085 1.00 14.00 H new ATOM 0 HD21 LEU A 114 8.852 40.661 -10.341 1.00 52.13 H new ATOM 0 HD22 LEU A 114 8.567 40.862 -8.596 1.00 52.13 H new ATOM 0 HD23 LEU A 114 7.854 39.480 -9.460 1.00 52.13 H new ATOM 1752 N TRP A 115 3.631 40.057 -6.837 1.00 22.25 N ATOM 1753 CA TRP A 115 3.241 39.414 -5.587 1.00 32.12 C ATOM 1754 C TRP A 115 2.054 38.482 -5.802 1.00 33.50 C ATOM 1755 O TRP A 115 2.021 37.371 -5.271 1.00 0.24 O ATOM 1756 CB TRP A 115 2.893 40.468 -4.534 1.00 61.32 C ATOM 1757 CG TRP A 115 2.732 39.900 -3.156 1.00 44.42 C ATOM 1758 CD1 TRP A 115 3.075 38.645 -2.742 1.00 0.14 C ATOM 1759 CD2 TRP A 115 2.187 40.568 -2.013 1.00 74.31 C ATOM 1760 NE1 TRP A 115 2.775 38.492 -1.409 1.00 61.25 N ATOM 1761 CE2 TRP A 115 2.230 39.657 -0.939 1.00 51.12 C ATOM 1762 CE3 TRP A 115 1.668 41.846 -1.792 1.00 13.15 C ATOM 1763 CZ2 TRP A 115 1.773 39.986 0.334 1.00 13.11 C ATOM 1764 CZ3 TRP A 115 1.214 42.171 -0.527 1.00 70.13 C ATOM 1765 CH2 TRP A 115 1.269 41.245 0.523 1.00 65.44 C ATOM 0 H TRP A 115 3.284 41.010 -6.948 1.00 22.25 H new ATOM 0 HA TRP A 115 4.085 38.822 -5.233 1.00 32.12 H new ATOM 0 HB2 TRP A 115 3.675 41.227 -4.517 1.00 61.32 H new ATOM 0 HB3 TRP A 115 1.969 40.969 -4.823 1.00 61.32 H new ATOM 0 HD1 TRP A 115 3.517 37.885 -3.369 1.00 0.14 H new ATOM 0 HE1 TRP A 115 2.933 37.647 -0.859 1.00 61.25 H new ATOM 0 HE3 TRP A 115 1.622 42.567 -2.595 1.00 13.15 H new ATOM 0 HZ2 TRP A 115 1.815 39.273 1.144 1.00 13.11 H new ATOM 0 HZ3 TRP A 115 0.810 43.156 -0.345 1.00 70.13 H new ATOM 0 HH2 TRP A 115 0.907 41.530 1.500 1.00 65.44 H new ATOM 1776 N ILE A 116 1.081 38.939 -6.583 1.00 45.25 N ATOM 1777 CA ILE A 116 -0.106 38.144 -6.869 1.00 15.30 C ATOM 1778 C ILE A 116 0.267 36.794 -7.471 1.00 22.01 C ATOM 1779 O ILE A 116 -0.487 35.826 -7.369 1.00 12.33 O ATOM 1780 CB ILE A 116 -1.057 38.878 -7.833 1.00 44.34 C ATOM 1781 CG1 ILE A 116 -2.513 38.561 -7.489 1.00 13.32 C ATOM 1782 CG2 ILE A 116 -0.751 38.493 -9.273 1.00 54.02 C ATOM 1783 CD1 ILE A 116 -3.460 39.712 -7.749 1.00 30.00 C ATOM 0 H ILE A 116 1.092 39.856 -7.029 1.00 45.25 H new ATOM 0 HA ILE A 116 -0.616 37.986 -5.918 1.00 15.30 H new ATOM 0 HB ILE A 116 -0.904 39.952 -7.724 1.00 44.34 H new ATOM 0 HG12 ILE A 116 -2.835 37.697 -8.071 1.00 13.32 H new ATOM 0 HG13 ILE A 116 -2.576 38.279 -6.438 1.00 13.32 H new ATOM 0 HG21 ILE A 116 -1.431 39.019 -9.943 1.00 54.02 H new ATOM 0 HG22 ILE A 116 0.277 38.766 -9.512 1.00 54.02 H new ATOM 0 HG23 ILE A 116 -0.879 37.418 -9.397 1.00 54.02 H new ATOM 0 HD11 ILE A 116 -4.475 39.416 -7.482 1.00 30.00 H new ATOM 0 HD12 ILE A 116 -3.163 40.571 -7.147 1.00 30.00 H new ATOM 0 HD13 ILE A 116 -3.426 39.980 -8.805 1.00 30.00 H new ATOM 1795 N PHE A 117 1.438 36.735 -8.098 1.00 14.24 N ATOM 1796 CA PHE A 117 1.913 35.503 -8.716 1.00 31.13 C ATOM 1797 C PHE A 117 2.535 34.577 -7.675 1.00 34.25 C ATOM 1798 O PHE A 117 2.089 33.444 -7.490 1.00 3.13 O ATOM 1799 CB PHE A 117 2.935 35.818 -9.810 1.00 71.51 C ATOM 1800 CG PHE A 117 2.495 35.391 -11.181 1.00 63.34 C ATOM 1801 CD1 PHE A 117 1.235 35.721 -11.654 1.00 3.24 C ATOM 1802 CD2 PHE A 117 3.342 34.659 -11.998 1.00 71.51 C ATOM 1803 CE1 PHE A 117 0.828 35.330 -12.915 1.00 53.43 C ATOM 1804 CE2 PHE A 117 2.940 34.265 -13.261 1.00 1.43 C ATOM 1805 CZ PHE A 117 1.681 34.601 -13.719 1.00 61.43 C ATOM 0 H PHE A 117 2.075 37.526 -8.191 1.00 14.24 H new ATOM 0 HA PHE A 117 1.057 34.996 -9.162 1.00 31.13 H new ATOM 0 HB2 PHE A 117 3.129 36.891 -9.817 1.00 71.51 H new ATOM 0 HB3 PHE A 117 3.877 35.325 -9.569 1.00 71.51 H new ATOM 0 HD1 PHE A 117 0.563 36.291 -11.029 1.00 3.24 H new ATOM 0 HD2 PHE A 117 4.327 34.393 -11.644 1.00 71.51 H new ATOM 0 HE1 PHE A 117 -0.157 35.594 -13.271 1.00 53.43 H new ATOM 0 HE2 PHE A 117 3.609 33.695 -13.888 1.00 1.43 H new ATOM 0 HZ PHE A 117 1.364 34.294 -14.705 1.00 61.43 H new ATOM 1815 N VAL A 118 3.568 35.067 -6.997 1.00 13.23 N ATOM 1816 CA VAL A 118 4.251 34.285 -5.974 1.00 4.13 C ATOM 1817 C VAL A 118 3.262 33.719 -4.962 1.00 34.22 C ATOM 1818 O VAL A 118 3.487 32.655 -4.385 1.00 23.12 O ATOM 1819 CB VAL A 118 5.302 35.131 -5.230 1.00 21.54 C ATOM 1820 CG1 VAL A 118 5.763 34.419 -3.967 1.00 11.45 C ATOM 1821 CG2 VAL A 118 6.482 35.436 -6.140 1.00 71.53 C ATOM 0 H VAL A 118 3.950 36.002 -7.138 1.00 13.23 H new ATOM 0 HA VAL A 118 4.752 33.463 -6.486 1.00 4.13 H new ATOM 0 HB VAL A 118 4.843 36.076 -4.940 1.00 21.54 H new ATOM 0 HG11 VAL A 118 6.505 35.031 -3.455 1.00 11.45 H new ATOM 0 HG12 VAL A 118 4.909 34.256 -3.309 1.00 11.45 H new ATOM 0 HG13 VAL A 118 6.205 33.458 -4.232 1.00 11.45 H new ATOM 0 HG21 VAL A 118 7.214 36.034 -5.598 1.00 71.53 H new ATOM 0 HG22 VAL A 118 6.943 34.503 -6.463 1.00 71.53 H new ATOM 0 HG23 VAL A 118 6.135 35.990 -7.012 1.00 71.53 H new ATOM 1831 N PHE A 119 2.163 34.437 -4.751 1.00 62.34 N ATOM 1832 CA PHE A 119 1.138 34.006 -3.808 1.00 54.23 C ATOM 1833 C PHE A 119 0.398 32.779 -4.332 1.00 55.04 C ATOM 1834 O PHE A 119 0.377 31.730 -3.688 1.00 13.31 O ATOM 1835 CB PHE A 119 0.145 35.141 -3.548 1.00 4.51 C ATOM 1836 CG PHE A 119 -0.745 34.899 -2.363 1.00 53.10 C ATOM 1837 CD1 PHE A 119 -0.208 34.743 -1.096 1.00 25.13 C ATOM 1838 CD2 PHE A 119 -2.120 34.827 -2.517 1.00 35.12 C ATOM 1839 CE1 PHE A 119 -1.024 34.520 -0.003 1.00 54.12 C ATOM 1840 CE2 PHE A 119 -2.942 34.605 -1.428 1.00 33.20 C ATOM 1841 CZ PHE A 119 -2.394 34.450 -0.170 1.00 24.11 C ATOM 0 H PHE A 119 1.960 35.320 -5.220 1.00 62.34 H new ATOM 0 HA PHE A 119 1.630 33.740 -2.872 1.00 54.23 H new ATOM 0 HB2 PHE A 119 0.697 36.068 -3.394 1.00 4.51 H new ATOM 0 HB3 PHE A 119 -0.474 35.282 -4.434 1.00 4.51 H new ATOM 0 HD1 PHE A 119 0.862 34.796 -0.960 1.00 25.13 H new ATOM 0 HD2 PHE A 119 -2.554 34.946 -3.499 1.00 35.12 H new ATOM 0 HE1 PHE A 119 -0.592 34.401 0.980 1.00 54.12 H new ATOM 0 HE2 PHE A 119 -4.013 34.553 -1.561 1.00 33.20 H new ATOM 0 HZ PHE A 119 -3.035 34.274 0.682 1.00 24.11 H new ATOM 1851 N VAL A 120 -0.210 32.918 -5.507 1.00 0.35 N ATOM 1852 CA VAL A 120 -0.951 31.822 -6.119 1.00 12.14 C ATOM 1853 C VAL A 120 -0.031 30.651 -6.443 1.00 73.53 C ATOM 1854 O VAL A 120 -0.464 29.498 -6.472 1.00 70.21 O ATOM 1855 CB VAL A 120 -1.661 32.276 -7.408 1.00 33.30 C ATOM 1856 CG1 VAL A 120 -0.645 32.717 -8.450 1.00 53.42 C ATOM 1857 CG2 VAL A 120 -2.543 31.161 -7.950 1.00 55.31 C ATOM 0 H VAL A 120 -0.203 33.779 -6.053 1.00 0.35 H new ATOM 0 HA VAL A 120 -1.700 31.502 -5.395 1.00 12.14 H new ATOM 0 HB VAL A 120 -2.297 33.129 -7.171 1.00 33.30 H new ATOM 0 HG11 VAL A 120 -1.165 33.034 -9.354 1.00 53.42 H new ATOM 0 HG12 VAL A 120 -0.059 33.548 -8.058 1.00 53.42 H new ATOM 0 HG13 VAL A 120 0.018 31.885 -8.686 1.00 53.42 H new ATOM 0 HG21 VAL A 120 -3.037 31.498 -8.861 1.00 55.31 H new ATOM 0 HG22 VAL A 120 -1.930 30.288 -8.172 1.00 55.31 H new ATOM 0 HG23 VAL A 120 -3.294 30.897 -7.206 1.00 55.31 H new ATOM 1867 N CYS A 121 1.239 30.953 -6.687 1.00 20.04 N ATOM 1868 CA CYS A 121 2.221 29.924 -7.010 1.00 44.40 C ATOM 1869 C CYS A 121 2.592 29.117 -5.770 1.00 53.11 C ATOM 1870 O CYS A 121 2.847 27.916 -5.852 1.00 23.40 O ATOM 1871 CB CYS A 121 3.475 30.559 -7.613 1.00 42.14 C ATOM 1872 SG CYS A 121 4.962 29.540 -7.467 1.00 11.53 S ATOM 0 H CYS A 121 1.613 31.902 -6.667 1.00 20.04 H new ATOM 0 HA CYS A 121 1.776 29.249 -7.741 1.00 44.40 H new ATOM 0 HB2 CYS A 121 3.293 30.768 -8.667 1.00 42.14 H new ATOM 0 HB3 CYS A 121 3.655 31.517 -7.125 1.00 42.14 H new ATOM 0 HG CYS A 121 5.968 30.161 -8.007 1.00 11.53 H new ATOM 1878 N VAL A 122 2.620 29.786 -4.622 1.00 23.14 N ATOM 1879 CA VAL A 122 2.960 29.131 -3.364 1.00 2.20 C ATOM 1880 C VAL A 122 1.926 28.072 -2.999 1.00 11.45 C ATOM 1881 O VAL A 122 2.258 26.900 -2.823 1.00 35.24 O ATOM 1882 CB VAL A 122 3.066 30.148 -2.212 1.00 43.54 C ATOM 1883 CG1 VAL A 122 2.893 29.455 -0.870 1.00 4.24 C ATOM 1884 CG2 VAL A 122 4.396 30.886 -2.274 1.00 34.51 C ATOM 0 H VAL A 122 2.411 30.781 -4.537 1.00 23.14 H new ATOM 0 HA VAL A 122 3.929 28.654 -3.508 1.00 2.20 H new ATOM 0 HB VAL A 122 2.265 30.879 -2.321 1.00 43.54 H new ATOM 0 HG11 VAL A 122 2.971 30.190 -0.068 1.00 4.24 H new ATOM 0 HG12 VAL A 122 1.914 28.978 -0.831 1.00 4.24 H new ATOM 0 HG13 VAL A 122 3.670 28.700 -0.747 1.00 4.24 H new ATOM 0 HG21 VAL A 122 4.454 31.601 -1.453 1.00 34.51 H new ATOM 0 HG22 VAL A 122 5.214 30.170 -2.191 1.00 34.51 H new ATOM 0 HG23 VAL A 122 4.474 31.417 -3.223 1.00 34.51 H new ATOM 1894 N PHE A 123 0.671 28.493 -2.886 1.00 55.42 N ATOM 1895 CA PHE A 123 -0.414 27.581 -2.541 1.00 43.40 C ATOM 1896 C PHE A 123 -0.667 26.586 -3.669 1.00 63.42 C ATOM 1897 O PHE A 123 -1.145 25.476 -3.437 1.00 42.10 O ATOM 1898 CB PHE A 123 -1.693 28.366 -2.242 1.00 2.03 C ATOM 1899 CG PHE A 123 -2.688 27.599 -1.418 1.00 45.20 C ATOM 1900 CD1 PHE A 123 -3.583 26.730 -2.021 1.00 5.13 C ATOM 1901 CD2 PHE A 123 -2.728 27.748 -0.041 1.00 61.00 C ATOM 1902 CE1 PHE A 123 -4.499 26.023 -1.266 1.00 30.44 C ATOM 1903 CE2 PHE A 123 -3.642 27.043 0.719 1.00 23.12 C ATOM 1904 CZ PHE A 123 -4.529 26.180 0.106 1.00 12.11 C ATOM 0 H PHE A 123 0.380 29.460 -3.028 1.00 55.42 H new ATOM 0 HA PHE A 123 -0.120 27.026 -1.650 1.00 43.40 H new ATOM 0 HB2 PHE A 123 -1.431 29.286 -1.718 1.00 2.03 H new ATOM 0 HB3 PHE A 123 -2.160 28.657 -3.183 1.00 2.03 H new ATOM 0 HD1 PHE A 123 -3.564 26.604 -3.093 1.00 5.13 H new ATOM 0 HD2 PHE A 123 -2.037 28.422 0.444 1.00 61.00 H new ATOM 0 HE1 PHE A 123 -5.191 25.348 -1.748 1.00 30.44 H new ATOM 0 HE2 PHE A 123 -3.663 27.167 1.792 1.00 23.12 H new ATOM 0 HZ PHE A 123 -5.245 25.629 0.698 1.00 12.11 H new ATOM 1914 N GLY A 124 -0.342 26.992 -4.893 1.00 74.21 N ATOM 1915 CA GLY A 124 -0.542 26.125 -6.040 1.00 31.14 C ATOM 1916 C GLY A 124 0.457 24.986 -6.086 1.00 33.41 C ATOM 1917 O GLY A 124 0.075 23.818 -6.169 1.00 23.54 O ATOM 0 H GLY A 124 0.056 27.906 -5.111 1.00 74.21 H new ATOM 0 HA2 GLY A 124 -1.552 25.717 -6.012 1.00 31.14 H new ATOM 0 HA3 GLY A 124 -0.461 26.713 -6.954 1.00 31.14 H new ATOM 1921 N THR A 125 1.741 25.324 -6.034 1.00 44.23 N ATOM 1922 CA THR A 125 2.798 24.321 -6.074 1.00 2.52 C ATOM 1923 C THR A 125 2.785 23.459 -4.817 1.00 73.53 C ATOM 1924 O THR A 125 2.632 22.239 -4.892 1.00 71.04 O ATOM 1925 CB THR A 125 4.186 24.974 -6.220 1.00 61.51 C ATOM 1926 OG1 THR A 125 4.413 25.341 -7.585 1.00 43.13 O ATOM 1927 CG2 THR A 125 5.281 24.025 -5.756 1.00 2.11 C ATOM 0 H THR A 125 2.075 26.285 -5.964 1.00 44.23 H new ATOM 0 HA THR A 125 2.606 23.693 -6.944 1.00 2.52 H new ATOM 0 HB THR A 125 4.211 25.867 -5.595 1.00 61.51 H new ATOM 0 HG1 THR A 125 4.556 26.309 -7.644 1.00 43.13 H new ATOM 0 HG21 THR A 125 6.252 24.507 -5.868 1.00 2.11 H new ATOM 0 HG22 THR A 125 5.121 23.770 -4.708 1.00 2.11 H new ATOM 0 HG23 THR A 125 5.255 23.117 -6.359 1.00 2.11 H new ATOM 1935 N ILE A 126 2.945 24.099 -3.664 1.00 35.51 N ATOM 1936 CA ILE A 126 2.949 23.388 -2.391 1.00 54.40 C ATOM 1937 C ILE A 126 1.671 22.575 -2.211 1.00 64.13 C ATOM 1938 O ILE A 126 1.683 21.509 -1.598 1.00 21.25 O ATOM 1939 CB ILE A 126 3.096 24.360 -1.205 1.00 24.30 C ATOM 1940 CG1 ILE A 126 4.481 25.011 -1.221 1.00 13.34 C ATOM 1941 CG2 ILE A 126 2.863 23.630 0.109 1.00 3.05 C ATOM 1942 CD1 ILE A 126 4.623 26.152 -0.238 1.00 14.24 C ATOM 0 H ILE A 126 3.074 25.108 -3.585 1.00 35.51 H new ATOM 0 HA ILE A 126 3.806 22.715 -2.408 1.00 54.40 H new ATOM 0 HB ILE A 126 2.345 25.144 -1.301 1.00 24.30 H new ATOM 0 HG12 ILE A 126 5.232 24.254 -0.997 1.00 13.34 H new ATOM 0 HG13 ILE A 126 4.689 25.379 -2.226 1.00 13.34 H new ATOM 0 HG21 ILE A 126 2.970 24.330 0.938 1.00 3.05 H new ATOM 0 HG22 ILE A 126 1.858 23.208 0.118 1.00 3.05 H new ATOM 0 HG23 ILE A 126 3.594 22.828 0.214 1.00 3.05 H new ATOM 0 HD11 ILE A 126 5.629 26.566 -0.304 1.00 14.24 H new ATOM 0 HD12 ILE A 126 3.895 26.928 -0.474 1.00 14.24 H new ATOM 0 HD13 ILE A 126 4.447 25.785 0.773 1.00 14.24 H new ATOM 1954 N GLY A 127 0.570 23.085 -2.753 1.00 54.52 N ATOM 1955 CA GLY A 127 -0.701 22.393 -2.643 1.00 62.43 C ATOM 1956 C GLY A 127 -0.639 20.979 -3.186 1.00 22.42 C ATOM 1957 O GLY A 127 -0.881 20.016 -2.458 1.00 1.43 O ATOM 0 H GLY A 127 0.535 23.966 -3.267 1.00 54.52 H new ATOM 0 HA2 GLY A 127 -1.006 22.364 -1.597 1.00 62.43 H new ATOM 0 HA3 GLY A 127 -1.464 22.953 -3.183 1.00 62.43 H new ATOM 1961 N MET A 128 -0.315 20.852 -4.469 1.00 11.25 N ATOM 1962 CA MET A 128 -0.223 19.545 -5.108 1.00 21.32 C ATOM 1963 C MET A 128 1.046 18.817 -4.676 1.00 45.04 C ATOM 1964 O MET A 128 1.094 17.587 -4.662 1.00 21.23 O ATOM 1965 CB MET A 128 -0.246 19.695 -6.630 1.00 74.31 C ATOM 1966 CG MET A 128 1.076 20.163 -7.215 1.00 62.21 C ATOM 1967 SD MET A 128 1.002 20.394 -9.002 1.00 24.31 S ATOM 1968 CE MET A 128 0.158 21.970 -9.105 1.00 22.10 C ATOM 0 H MET A 128 -0.112 21.638 -5.086 1.00 11.25 H new ATOM 0 HA MET A 128 -1.084 18.954 -4.796 1.00 21.32 H new ATOM 0 HB2 MET A 128 -0.513 18.737 -7.077 1.00 74.31 H new ATOM 0 HB3 MET A 128 -1.027 20.404 -6.905 1.00 74.31 H new ATOM 0 HG2 MET A 128 1.366 21.102 -6.743 1.00 62.21 H new ATOM 0 HG3 MET A 128 1.852 19.435 -6.979 1.00 62.21 H new ATOM 0 HE1 MET A 128 0.131 22.301 -10.143 1.00 22.10 H new ATOM 0 HE2 MET A 128 -0.861 21.862 -8.732 1.00 22.10 H new ATOM 0 HE3 MET A 128 0.689 22.707 -8.503 1.00 22.10 H new ATOM 1978 N PHE A 129 2.073 19.585 -4.326 1.00 62.42 N ATOM 1979 CA PHE A 129 3.344 19.012 -3.896 1.00 13.41 C ATOM 1980 C PHE A 129 3.219 18.394 -2.507 1.00 33.34 C ATOM 1981 O PHE A 129 4.081 17.627 -2.076 1.00 3.21 O ATOM 1982 CB PHE A 129 4.435 20.085 -3.893 1.00 21.34 C ATOM 1983 CG PHE A 129 5.822 19.528 -3.743 1.00 61.11 C ATOM 1984 CD1 PHE A 129 6.479 18.969 -4.827 1.00 43.35 C ATOM 1985 CD2 PHE A 129 6.468 19.562 -2.518 1.00 3.50 C ATOM 1986 CE1 PHE A 129 7.756 18.456 -4.693 1.00 52.34 C ATOM 1987 CE2 PHE A 129 7.745 19.052 -2.378 1.00 32.50 C ATOM 1988 CZ PHE A 129 8.389 18.497 -3.467 1.00 31.43 C ATOM 0 H PHE A 129 2.050 20.605 -4.332 1.00 62.42 H new ATOM 0 HA PHE A 129 3.618 18.227 -4.600 1.00 13.41 H new ATOM 0 HB2 PHE A 129 4.378 20.652 -4.822 1.00 21.34 H new ATOM 0 HB3 PHE A 129 4.243 20.785 -3.080 1.00 21.34 H new ATOM 0 HD1 PHE A 129 5.988 18.933 -5.788 1.00 43.35 H new ATOM 0 HD2 PHE A 129 5.968 19.992 -1.663 1.00 3.50 H new ATOM 0 HE1 PHE A 129 8.257 18.024 -5.546 1.00 52.34 H new ATOM 0 HE2 PHE A 129 8.239 19.087 -1.418 1.00 32.50 H new ATOM 0 HZ PHE A 129 9.386 18.096 -3.359 1.00 31.43 H new ATOM 1998 N LEU A 130 2.140 18.732 -1.810 1.00 15.21 N ATOM 1999 CA LEU A 130 1.900 18.211 -0.468 1.00 43.15 C ATOM 2000 C LEU A 130 1.210 16.852 -0.527 1.00 54.43 C ATOM 2001 O LEU A 130 0.991 16.212 0.501 1.00 41.32 O ATOM 2002 CB LEU A 130 1.049 19.194 0.338 1.00 45.14 C ATOM 2003 CG LEU A 130 1.802 20.061 1.348 1.00 54.44 C ATOM 2004 CD1 LEU A 130 1.058 21.366 1.589 1.00 43.00 C ATOM 2005 CD2 LEU A 130 1.999 19.308 2.655 1.00 11.10 C ATOM 0 H LEU A 130 1.417 19.365 -2.152 1.00 15.21 H new ATOM 0 HA LEU A 130 2.864 18.087 0.025 1.00 43.15 H new ATOM 0 HB2 LEU A 130 0.530 19.851 -0.360 1.00 45.14 H new ATOM 0 HB3 LEU A 130 0.285 18.629 0.872 1.00 45.14 H new ATOM 0 HG LEU A 130 2.784 20.296 0.936 1.00 54.44 H new ATOM 0 HD11 LEU A 130 1.608 21.971 2.310 1.00 43.00 H new ATOM 0 HD12 LEU A 130 0.969 21.913 0.650 1.00 43.00 H new ATOM 0 HD13 LEU A 130 0.063 21.151 1.979 1.00 43.00 H new ATOM 0 HD21 LEU A 130 2.537 19.940 3.362 1.00 11.10 H new ATOM 0 HD22 LEU A 130 1.028 19.042 3.072 1.00 11.10 H new ATOM 0 HD23 LEU A 130 2.574 18.401 2.469 1.00 11.10 H new